2022 NERSC Awards

TitlePrincipal InvestigatorOrganizationProgramCPU Award (Node Hours)GPU Award (Node Hours)Common File System Storage Award (TB)Archival Storage Award (TB)NERSC Award ID
Big Data Solutions for Mobility Planning Jane MacFarlane Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 2,500 100 20 1 ERCAP0020351
STRUMPACK-SuperLU Xiaoye (Sherry) Li Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 10,000 2,000 20 1 ERCAP0020916
ExaGraph: Graph and Combinatorial Methods for Enabling Exascale Applications Mahantesh Halappanavar Pacific Northwest National Laboratory (PNNL) ASCR - Advanced Scientific Computing Research 1,250 2,000 20 1 ERCAP0021753
High-Performance Photonics Computations John Cary University of Colorado at Boulder ASCR - Advanced Scientific Computing Research 250 1,800 20 1 ERCAP0021003
ECPUSRPRG-7 Xiaoye (Sherry) Li Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 5,000 1,500 20 1 ERCAP0020942
Composable Hierarchically Nested Solvers Lois Curfman Mcinnes Argonne National Laboratory ASCR - Advanced Scientific Computing Research 2,000 1,500 20 1 ERCAP0021447
AMR Time-domain Electrodynamics Solver Zhi Yao Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 5,000 1,260 20 1 ERCAP0020291
Extreme-scale graph algorithms and genomic tools for environmental microbial community data sets Ananth Kalyanaraman Washington State University ASCR - Advanced Scientific Computing Research 750 1,260 20 1 ERCAP0021025
Software Development for Parallel I/O and Data Analysis for Exascale Science Wei-keng Liao Northwestern University ASCR - Advanced Scientific Computing Research 750 1,260 20 1 ERCAP0021094
Inertial neural surrogates for stable dynamical prediction Qi Tang Los Alamos National Laboratory ASCR - Advanced Scientific Computing Research 10,000 2,000 50 1 ERCAP0020162
NREL Domain Applications of Asynchronous Single-Stage Stochastic Direct Model Programming Charles Tripp National Renewable Energy Laboratory ASCR - Advanced Scientific Computing Research 10,000 1,260 20 1 ERCAP0021420
ECP ALPINE: Algorithms and Infrastructure for In Situ Visualization and Analysis Gunther Weber Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 10,000 1,000 20 4 ERCAP0019934
Investigation of PGAS Programming Paradigms, Messaging Patterns, Application Performance, and Performance Analysis Tools Wendell Scruggs Intel Inc. ASCR - Advanced Scientific Computing Research 1,450 1,000 20 1 ERCAP0020073
HPX and OpenMP Alice Koniges Lawrence Berkeley National Laboratory - NERSC ASCR - Advanced Scientific Computing Research 3,750 1,000 20 1 ERCAP0020890
ECP Software Integration and CI Efforts Shahzeb Siddiqui Lawrence Berkeley National Laboratory - NERSC ASCR - Advanced Scientific Computing Research 2,500 1,000 20 1 ERCAP0021376
DeepSparse: A Task-parallel Sparse Linear Algebra Framework Hasan Metin Aktulga Michigan State University ASCR - Advanced Scientific Computing Research 2,500 1,000 20 1 ERCAP0021407
ERF Model Development Ann Almgren Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 2,000 1,000 20 1 ERCAP0021673
Toward a Hardware/Software Co-Design Framework for Ensuring the Integrity of Exascale Scientific Dat Sean Peisert Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 10,000 3,168 20 1 ERCAP0019814
MPI for exascale and beyond: optimization, applications and analysis Sayan Ghosh Pacific Northwest National Laboratory (PNNL) ASCR - Advanced Scientific Computing Research 1,000 500 20 1 ERCAP0021543
Data Analytics at the Exascale for Free Electron Lasers Amedeo Perazzo SLAC National Accelerator Laboratory ASCR - Advanced Scientific Computing Research 500 1,260 20 1 ERCAP0021737
Numerical Algorithms and Parallel Implementations for Electronic and Nuclear Structure Analysis Chao Yang Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 15,100 2,290 20 1 ERCAP0020025
NERSC Application Readiness for Future Architectures Jack Deslippe Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 7,500 2,500 27 125 ERCAP0021861
Mathematical and Numerical methods for Electronic Structure Calculation Lin Lin Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 5,000 2,500 20 1 ERCAP0021466
Data, AI, and Analytics at Scale for Science Wahid Bhimji Lawrence Berkeley National Laboratory - NERSC ASCR - Advanced Scientific Computing Research 10,000 3,168 221 133 ERCAP0019913
RAPIDS2: a SciDAC Institute for Resource and Application Productivity through computation, Information Leonid Oliker Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 8,000 3,168 20 1 ERCAP0019967
Goal-oriented Bayesian Machine Learning for Closed-Loop Systems Thomas Catanach Sandia National Laboratories - California ASCR - Advanced Scientific Computing Research 125 3,168 20 1 ERCAP0020083
Probabilistic Sea Level Projections from Ice Sheet and Earth System Models: Numerical and Computational Development Esmond Ng Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 34,400 3,168 22 39 ERCAP0020130
Surrogating High Dimensional Probability Distributions with Deep Learning for Scientific Inference and Data Analysis Wahid Bhimji Lawrence Berkeley National Laboratory - NERSC ASCR - Advanced Scientific Computing Research 20,000 3,168 50 1 ERCAP0020201
Proactive Data Containers for Exascale Storage Systems Suren Byna Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 30,000 3,168 20 73 ERCAP0020245
Simulation and Analysis of Reacting Flows John Bell Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 50,000 3,168 20 7,061 ERCAP0020349
Scalable Graph Learning for Scientific Discovery Aydin Buluc Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 5,000 3,168 23 1 ERCAP0020366
ECP: Exascale Solutions for Microbiome Analysis Katherine Yelick Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 20,000 3,168 23 3 ERCAP0020377
Advanced Technology Group: (CoDEx) CoDesign for Exascale John Shalf Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 25,000 3,168 27 99 ERCAP0020382
CAMERA Hari Krishnan Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 60,000 3,168 40 1 ERCAP0020612
Stochastic Hybrid Models and Algorithms for Fluids Daniel Ladiges Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 50,000 3,168 20 39 ERCAP0020823
Quantum Algorithms, Mathematics and Compilation Tools for Chemical Sciences Wibe (Bert) de Jong Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 10,000 3,168 20 1 ERCAP0021233
Scientific Data Management Research Kesheng Wu Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 37,500 3,168 359 400 ERCAP0021411
High Performance Software and Algorithms for Applied Partial Differential Equations Daniel Martin Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 10,000 3,168 20 1 ERCAP0021605
Partitioned Global Address Space Programming Katherine Yelick Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 500 3,168 20 75 ERCAP0021853
DOE Computational Science Graduate Fellows Richard Gerber Lawrence Berkeley National Laboratory - NERSC ASCR - Advanced Scientific Computing Research 7,500 3,000 20 92 ERCAP0021679
Intelligent Primitives for Graph Machine Learning Ariful Azad Indiana University ASCR - Advanced Scientific Computing Research 4,000 3,000 20 1 ERCAP0019862
High Performance Sparse Matrix Algorithms Esmond Ng Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 8,750 3,000 20 2,245 ERCAP0020197
N9ES-N1 ExaFEL Amedeo Perazzo SLAC National Accelerator Laboratory ASCR - Advanced Scientific Computing Research 500 500 20 1 ERCAP0021740
High Performance Data Visualization, Analytics Edward (Wes) Bethel Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 1,500 400 20 47 ERCAP0020976
Linear Algebra Algorithms on High Performance Computers James Demmel University of California Berkeley ASCR - Advanced Scientific Computing Research 900 500 20 1 ERCAP0021541
Storage for the Scientific Data Management Research Group Kesheng Wu Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 100 100 100 1,593 ERCAP0021165
UCSD Network Telescope: A Real-time Lens into Dark Address Space of the Internet Kimberly Claffy University of California San Diego ASCR - Advanced Scientific Computing Research 100 100 20 5,208 ERCAP0021366
Direct numerical simulation of particulate deposition for aeroengine combustor applications Sigfried Haering Sandia National Laboratories - California ASCR - Advanced Scientific Computing Research 50,000 100 20 1 ERCAP0021360
NetPredict Realtime ESnet prediction Mariam Kiran Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 6,440 100 20 1 ERCAP0021338
High-Order Unstructured Mesh Methods for Simulation and Optimization of Turbulent Flows Per-Olof Persson Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 1,000 100 20 1 ERCAP0021324
Extreme-scale Algorithms and Solver Resilience (EASIR) Ichitaro Yamazaki Sandia National Laboratories - New Mexico ASCR - Advanced Scientific Computing Research 10,000 100 20 1 ERCAP0021195
Efficient Hyperparameter Optimization of Deep Learning Models Through Surrogate Modeling Juliane Mueller Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 1,250 375 20 1 ERCAP0020826
Large Scale Graph Analytics Ahmet Erdem Sariyuce State University of New York at Buffalo ASCR - Advanced Scientific Computing Research 125 100 20 1 ERCAP0021001
UnifyFS Kathryn Mohror Lawrence Livermore National Laboratory ASCR - Advanced Scientific Computing Research 100 100 20 1 ERCAP0021568
Characterization of metal-organic chalcogenolate materials using XFELs Aaron Brewster Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 12,500 100 20 1 ERCAP0020822
self-driving 5G Mariam Kiran Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 6,440 100 20 1 ERCAP0021593
Coherent X-ray Imaging Data Bank Bjoern Enders Lawrence Berkeley National Laboratory - NERSC ASCR - Advanced Scientific Computing Research 100 100 317 801 ERCAP0020413
Science Capsule: Lavanya Ramakrishnan Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 100 100 20 1 ERCAP0021616
Supporting Collaborative Interactive Reproducible Analytics on HPC Systems Lavanya Ramakrishnan Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 100 100 20 1 ERCAP0021621
High-Order Numerics For Complex Fluid Flow Robert Saye Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 1,000 100 20 7 ERCAP0019947
A multiresolution sharp?interface framework for tightly?coupled multiphysics simulations Wim Van Rees Massachusetts Institute of Technology ASCR - Advanced Scientific Computing Research 21,950 100 20 1 ERCAP0020232
Development of a Framework for Improvement by Vertical Enhancement Daniel Martin Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 6,000 100 20 1 ERCAP0019900
NERSC Scaling Jupyter on HPC Systems Rollin Thomas Lawrence Berkeley National Laboratory - NERSC ASCR - Advanced Scientific Computing Research 1,000 250 20 1 ERCAP0019888
MueLu: Scalable Multicore-Aware Multilevel Preconditioners Christopher Siefert Sandia National Laboratories - New Mexico ASCR - Advanced Scientific Computing Research 250 250 20 1 ERCAP0020331
Multilevel Iterative Approaches to Parallel Temporal Integration for PDEs Michael Minion Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 625 250 20 1 ERCAP0021418
Development of Vorcat for HPC cloud-based complex energy applications Jacob Krispin Vorcat, Inc. ASCR - Advanced Scientific Computing Research 590 100 20 1 ERCAP0019940
ECP SOLLVE Validation & Verification Test Suite (OMPVV) Sunita Chandrasekaran University of Delaware ASCR - Advanced Scientific Computing Research 200 200 20 1 ERCAP0021493
Optimizing the Einstein Toolkit for current and future compute architectures Roland Haas University of Illinois at Urbana-Champaign ASCR - Advanced Scientific Computing Research 500 100 20 1 ERCAP0021987
STAPL: A library for Large Scale Parallel Programming of simulations of Scramjets and Material Science Lawrence Rauchwerger University of Illinois at Urbana-Champaign ASCR - Advanced Scientific Computing Research 500 100 20 1 ERCAP0021782
DNS Simulations of Coolant Flow in the High Flux Isotope Reactor Emilian Popov Oak Ridge National Laboratory ASCR - Advanced Scientific Computing Research 62,600 100 20 1 ERCAP0019874
VisIt: Visualization and Analysis of Very Large Data Hank Childs University of Oregon ASCR - Advanced Scientific Computing Research 100 100 20 1 ERCAP0021781
Software Synthesis for High Productivity ExaScale Computing Armando Solar-Lezama Massachusetts Institute of Technology ASCR - Advanced Scientific Computing Research 2,900 100 20 1 ERCAP0021767
Mining Galactic Outskirts for Dark Matter and Black Holes Sukanya Chakrabarti Rochester Institute of Technology ASCR - Advanced Scientific Computing Research 300 100 20 1 ERCAP0021949
Extending and applying the BEAM CORE agent based transportation system modeling framework Zachary Needell Lawrence Berkeley National Laboratory ASCR - Advanced Scientific Computing Research 3,500 100 60 1 ERCAP0021405
National Microbiome Data Collaborative Kjiersten Fagnan Lawrence Berkeley National Laboratory - Joint Genome Institute (JGI) BER - Biological Systems Science 12,500 100 187 1 ERCAP0021472
ExoMet: data repository of microbial uptake and release of extracellular metabolites Trent Northen Lawrence Berkeley National Laboratory BER - Biological Systems Science 0 0 20 1 ERCAP0021933
Deciphering metabolic constraints on soil carbon oxidation in hydrodynamic floodplain soils using an integrated multi-omics approach Ulas Karaoz Lawrence Berkeley National Laboratory BER - Biological Systems Science 625 100 25 1 ERCAP0021443
JGI general.p share Kjiersten Fagnan Lawrence Berkeley National Laboratory - Joint Genome Institute (JGI) BER - Biological Systems Science 0 0 20 4 ERCAP0019982
Computer simulations of biomolecular motors and viral proteins. Victor Ovchinnikov Harvard University BER - Biological Systems Science 2,500 100 20 38 ERCAP0021432
Next-generation genome-scale in silico modeling Bernhard Palsson University of California San Diego BER - Biological Systems Science 2,500 100 20 1 ERCAP0021427
Computational modeling of biofilm growth Oskar Hallatschek University of California Berkeley BER - Biological Systems Science 1,250 500 20 1 ERCAP0019907
Systems Biology Knowledge Base Shane Canon Lawrence Berkeley National Laboratory - NERSC BER - Biological Systems Science 5,000 2,500 34 2 ERCAP0021564
MICROBES PERSIST: SYSTEMS BIOLOGY OF THE SOIL MICROBIOME Jeff Kimbrel Lawrence Livermore National Laboratory BER - Biological Systems Science 10,000 100 20 1 ERCAP0021246
High Performance Algorithms and Software to Make Earth's Microbial Diversity Searchable Chirag Jain Indian Institute of Science, Bangalore BER - Biological Systems Science 5,000 100 21 1 ERCAP0021110
Molecular Dynamics Simulations of Protein Dynamics and Lignocellulosic Biomass Jeremy Smith Oak Ridge National Laboratory BER - Biological Systems Science 15,000 100 20 120 ERCAP0020836
Scalable Computational Methods for the Analysis of High-Throughput Biological Data Michael Langston University of Tennessee BER - Biological Systems Science 500 100 20 1 ERCAP0020702
JGI gentech.p share Kjiersten Fagnan Lawrence Berkeley National Laboratory - Joint Genome Institute (JGI) BER - Biological Systems Science 0 0 20 1 ERCAP0019988
Computational simulations of advanced X-ray spectroscopy on biological metallocofactors. Leland Gee SLAC National Accelerator Laboratory BER - Biological Systems Science 10,000 100 20 5 ERCAP0020111
Accelerated Computer Simulations of G-Protein-Coupled Receptors Yinglong Miao University of Kansas BER - Biological Systems Science 11,556 1,000 21 1 ERCAP0021079
NMR Properties Calculation via Machine Learning Teresa Head-Gordon Lawrence Berkeley National Laboratory BER - Biological Systems Science 7,500 1,000 20 1 ERCAP0021237
Dependence of Structure and Dynamics of Novel SARS-CoV-2 on Temperature and Humidity in the Atmosphere Soumya Rath National Institute of Technology, Warangal BER - Biological Systems Science 10,000 100 20 1 ERCAP0019866
Joint Genome Institute - Production Sequencing and Genomics Kjiersten Fagnan Lawrence Berkeley National Laboratory - Joint Genome Institute (JGI) BER - Biological Systems Science 250,000 1,000 2,514 25,312 ERCAP0021465
OpenMSI: Mass Spectrometry Imaging Resource Ben Bowen Lawrence Berkeley National Laboratory BER - Biological Systems Science 1,000 1,000 26 1 ERCAP0021931
Metabolite Atlas Ben Bowen Lawrence Berkeley National Laboratory BER - Biological Systems Science 1,000 1,000 43 1 ERCAP0021932
WeFold: A collaborative effort for protein structure prediction and machine learning Silvia Crivelli Lawrence Berkeley National Laboratory BER - Biological Systems Science 3,000 672 20 1 ERCAP0021657
Modeling eco-evolutionary dynamics in high-dimensions Oskar Hallatschek University of California Berkeley BER - Biological Systems Science 1,500 100 20 1 ERCAP0021398
Deep learning for protein structure prediction and de novo protein design David Baker University of Washington BER - Biological Systems Science 50,000 10,000 60 1 ERCAP0022018
JGI prok.p share Kjiersten Fagnan Lawrence Berkeley National Laboratory - Joint Genome Institute (JGI) BER - Biological Systems Science 0 0 20 3 ERCAP0019989
Confronting a Changing World: Using Ultralow Precision Mathematics to Detect Spatiotemporal Environmental Changes with Impacts on Food and Bioenergy Daniel Jacobson Oak Ridge National Laboratory BER - Biological Systems Science 40,000 10,000 20 1 ERCAP0021825
Exabiome science Alicia Clum Lawrence Berkeley National Laboratory - Joint Genome Institute (JGI) BER - Biological Systems Science 25,000 10,000 198 1 ERCAP0020358
From Sequence to Cell to Population: Secure and Robust Biosystems Design for Environmental Microorganisms Jeff Kimbrel Lawrence Livermore National Laboratory BER - Biological Systems Science 10,000 10,000 20 1 ERCAP0020506
Computational Biosciences Group Kristofer Bouchard Lawrence Berkeley National Laboratory BER - Biological Systems Science 12,500 10,000 20 1 ERCAP0019944
Enabling Aerosol-cloud interactions at GLobal convection-permitting scalES (EAGLES) Po-Lun Ma Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 66,667 100 22 494 ERCAP0020990
Regional Modeling of Land-Ocean-Atmosphere Interactions Larry Berg Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 299 ERCAP0020687
Using probability distribution function as a scaling approach to incorporate soil heterogeneity into biogeochemical models for greenhouse gas predictions Debjani Sihi Emory University BER - Earth and Environmental Systems Sciences Division (EESSD) 633 100 20 1 ERCAP0020795
Implementing Hydrologic Design to address Non-Stationary Climate Mark Wigmosta Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 2,980 100 41 1 ERCAP0020796
A Framework for Improving Analysis and Modeling of Earth System and Intersectoral Dynamics at Regional Scales Paul Ullrich University of California Davis BER - Earth and Environmental Systems Sciences Division (EESSD) 35,567 100 43 744 ERCAP0020801
ESS DIVE Deborah Agarwal Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 22 5 ERCAP0020814
Multi-scale cloud, aerosol, and cloud-aerosol interaction processes associated with ARM campaigns Jerome Fast Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 1,667 100 20 1 ERCAP0020831
Ocean Atmosphere Reanalyses for Climate Applications (OARCA) 1780-2020 Gilbert Compo University of Colorado at Boulder BER - Earth and Environmental Systems Sciences Division (EESSD) 30,000 100 177 33,987 ERCAP0020982
Aerosol delivery: Boundary-layer transport of aerosols into clouds Colleen Kaul Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 4,667 100 20 1 ERCAP0020835
Development of a Terrestrial Dynamical Core for E3SM Gautam Bisht Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 1,667 100 20 1 ERCAP0020645
High-Latitude Application and Testing (HiLAT) of Earth System Models & Regional Arctic System Model Hailong Wang Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 105,417 100 125 1,061 ERCAP0020861
Advancing extreme value analysis Michael Wehner Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 300 100 100 2 ERCAP0020867
Assessing and Improving the Numerical Solution of Atmospheric Physics in E3SM Hui Wan Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 3,330 100 20 122 ERCAP0020929
Coupling of Land and Atmosphere Subgrid Parameterizations Po-Lun Ma Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 5,000 100 20 8 ERCAP0021004
Earth System Modeling Yang Zhang Northeastern University BER - Earth and Environmental Systems Sciences Division (EESSD) 1,000 100 300 1 ERCAP0020977
Emissions Data for Earth System and Aerosol Models: A Multi-Model Sensitivity Evaluation Steven Smith Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 15,000 100 20 1 ERCAP0020844
3D-Land Energy and Moisture Exchanges: Harnessing High Resolution Terrestrial Information to Refine Atmosphere-to-Land interactions in Earth System Models Gautam Bisht Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 833 100 20 1 ERCAP0020637
Watershed Function: Scale-Aware Watershed Simulation Capability Carl Steefel Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 2,500 100 20 1 ERCAP0020537
Monsoon Extremes: Impacts, Metrics, and Synoptic-Scale Drivers William Boos University of California Berkeley BER - Earth and Environmental Systems Sciences Division (EESSD) 3,340 100 50 12 ERCAP0020526
Investigating the impacts of streamflow disturbances on water quality using a data-driven framework Charuleka Varadharajan Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 100 500 20 1 ERCAP0020792
Atmospheric Dynamics David Romps Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 1,667 100 20 1 ERCAP0019805
Advancing the Understanding of Cloud Microphysical Processes and Aerosol Indirect Effects in High-Latitude Mixed-Phase Clouds by Linking ARM Measurements with Climate Model Simulations Minghui Diao San Jose State University BER - Earth and Environmental Systems Sciences Division (EESSD) 2,550 100 20 1 ERCAP0019880
Climate Impact: Determining Etiology Through Pathways (CLDERA) Kara Peterson Sandia National Laboratories - New Mexico BER - Earth and Environmental Systems Sciences Division (EESSD) 50,000 100 20 1 ERCAP0019889
Development of E3SM-FIVE with adaptive vertical grid Takanobu Yamaguchi University of Colorado at Boulder BER - Earth and Environmental Systems Sciences Division (EESSD) 2,083 100 88 7 ERCAP0019893
Integrated, Multisector, Multiscale Modeling (IM3): Investigating the Effects of Compound Influences on the Evolution of Coupled Energy-Water-Land-Urban Systems Casey Burleyson Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 14,225 100 224 70 ERCAP0019925
MODELING ARCTIC STORMS AND IMPACTS OF DIMINISHING SEA ICE Xiangdong Zhang University of Alaska Fairbanks BER - Earth and Environmental Systems Sciences Division (EESSD) 51,667 100 20 25 ERCAP0020095
Probabilistic Sea Level Projections from Ice Sheet and Earth System Models: Production Simulations Stephen Price Los Alamos National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 11,800 100 20 99 ERCAP0020140
Understanding air-sea feedbacks to the MJO through process evaluation of observations and E3SM experiments Charlotte Demott Colorado State University BER - Earth and Environmental Systems Sciences Division (EESSD) 600 100 40 1 ERCAP0020185
Understanding Factors Impacting Past and Future Severe Thunderstorms in the Central United States Jiwen Fan Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 15,000 100 25 74 ERCAP0020208
Weather Effects on the Lifecycle of DoD Equipment Replacement (WELDER) Christina Patricola Iowa State University BER - Earth and Environmental Systems Sciences Division (EESSD) 2,000 100 20 378 ERCAP0020215
Anthropogenic Influences on Extreme Precipitation in Convection-Permitting Climate Models Christina Patricola Iowa State University BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 1 ERCAP0020216
Telescoping hydroclimate modeling for water and energy applications (CERC-WET) Alan Di Vittorio Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 6,667 100 49 1 ERCAP0020223
Toward improving the simulation of tropical precipitation in E3SM Guang Zhang Scripps Institution of Oceanography BER - Earth and Environmental Systems Sciences Division (EESSD) 8,333 100 20 1 ERCAP0020265
Influence of Antarctic and Greenland continental shelf circulation on high-latitude oceans in E3SM Julie McClean Scripps Institution of Oceanography BER - Earth and Environmental Systems Sciences Division (EESSD) 13,340 100 20 233 ERCAP0020372
The Role of Deep Convection and Large-scale Circulation in Driving Model Spread in Low Cloud Feedback and Equilibrium Climate Sensitivity Hui Su University of California Los Angeles (UCLA) BER - Earth and Environmental Systems Sciences Division (EESSD) 2,500 100 20 1 ERCAP0020375
Modeling Arctic Storms and Impacts of Diminishing Sea Ice Erika Roesler Sandia National Laboratories - New Mexico BER - Earth and Environmental Systems Sciences Division (EESSD) 148,000 100 20 1 ERCAP0020421
Dynamics and Variability of the Coupled Stratosphere-Troposphere System Thomas Reichler University of Utah BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 820 ERCAP0020431
ECS in climate models: quantifying the uncertainties due to cloud feedback versus ocean heat uptake using a modeling hierarchy Wei Cheng University of Washington BER - Earth and Environmental Systems Sciences Division (EESSD) 10,417 100 100 1 ERCAP0020432
ExaSheds: Advancing Watershed System Science using ML for Data-Intensive Extreme-Scale Simulation Carl Steefel Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 7,000 100 20 1 ERCAP0021005
Water Cycle and Climate Extremes Modeling (WACCEM) Lai-Yung Ruby Leung Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 130,000 1,067 739 4,034 ERCAP0020456
ASCEM - Advanced Simulation Capability for Environmental Management John Moulton Los Alamos National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 600 100 20 43 ERCAP0021056
Environmental effects in the lifecycle of convective clouds Heng Xiao Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 45,667 100 746 797 ERCAP0021106
Coastal Observations, Mechanisms, and Predictions Across Systems and Scales Xingyuan Chen Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 25,000 100 20 1 ERCAP0021479
Robust technology and policy pathways to urban water security Megan Mauter Stanford University BER - Earth and Environmental Systems Sciences Division (EESSD) 40,000 100 20 1 ERCAP0021508
Systematic Studies to Characterize Errors in Atmospheric Forcing on Mountainous Watersheds Daniel Feldman Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 500 100 20 1 ERCAP0021550
SAIL Leadership and Outreach Activities Daniel Feldman Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 625 100 20 1 ERCAP0021551
Climate and Hydrological Controls on Coastal Algal Blooms Michelle Newcomer Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 300 100 20 1 ERCAP0021612
PCMDI: An earth system model evaluation project Hsi-Yen Ma Lawrence Livermore National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 5,240 100 20 805 ERCAP0021670
Coupled Earth System Model Analytics Consortium (CESMAC) Forrest Hoffman Oak Ridge National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 200 100 5,156 1 ERCAP0021687
Reducing Uncertainties in Biogeochemical Interactions through Synthesis and Computation (RUBISCO) Forrest Hoffman Oak Ridge National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 260,000 100 40 1,069 ERCAP0021688
UC Consortium for Drought and Carbon Management Ulas Karaoz Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 1 ERCAP0021433
Evaluating the Influence of Plant-Climate Interactions and Feedbacks on Hydrologic Cycling Abigail Swann University of Washington BER - Earth and Environmental Systems Sciences Division (EESSD) 23,333 100 27 1 ERCAP0021693
Simulating the tropical cloud-climate interactions for Thai-Coast Project Yi Wang University of Sussex BER - Earth and Environmental Systems Sciences Division (EESSD) 500 100 20 20 ERCAP0021713
Modeling, Simulation and X-ray Spectroscopies of Organic Matter in the Environment Amity Andersen Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 200 100 20 1 ERCAP0021726
Interactions Between Clouds and Wind-Driven Surface Heat Exchanges over Land Ian Williams Iowa State University BER - Earth and Environmental Systems Sciences Division (EESSD) 400 100 20 38 ERCAP0021743
Vegetation Dynamical Responses to Extremes in the Western US Charles Koven Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 600 100 20 1 ERCAP0021795
Interactions between land use, fires and dust as drivers of global climate change Natalie Mahowald Cornell University BER - Earth and Environmental Systems Sciences Division (EESSD) 10,000 100 20 1 ERCAP0021892
Energy Exascale Earth System Modeling (E3SM) Lai-Yung Ruby Leung Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 568,000 84,000 1,640 8,675 ERCAP0020465
Using ARM Data and Multiscale Models to Advance the Understanding of Liquid-Phase Cloud Response to Aerosol Perturbation over Ocean and Land Xue Zheng Lawrence Livermore National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 116,667 100 20 1 ERCAP0021995
Calibrated and Systematic Characterization Attribution and Detection of Extremes Mark Risser Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 62,625 91,778 203 18,212 ERCAP0020395
The Future of California Drought, Fire, and Forest Dieback Lara Kueppers University of California Berkeley BER - Earth and Environmental Systems Sciences Division (EESSD) 400 100 20 1 ERCAP0021697
Influence of hydrologic exchange flows on watershed biogeochemical functions Xingyuan Chen Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 4,167 44,444 20 696 ERCAP0021272
Scaling microbial traits from genomes to watersheds through combined airborne hyperspectral imaging, soil biogeochemistry, and metagenome assembled genomes Ulas Karaoz Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 200 100 20 1 ERCAP0021403
Simulating extreme precipitation in the United States in the Energy Exascale Earth System Model Gabriel Kooperman University of Georgia BER - Earth and Environmental Systems Sciences Division (EESSD) 2,333 100 26 1 ERCAP0021399
Evaluation and improvement of Physical Parameterizations --Refining the representations of high-latitude surface-atmosphere radiative coupling in the E3SM Wuyin Lin Brookhaven National Lab BER - Earth and Environmental Systems Sciences Division (EESSD) 21,250 100 20 228 ERCAP0021160
Integrated Coastal Modeling (ICoM) Elizabeth Hunke Los Alamos National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 56,113 100 25 20 ERCAP0021178
Southern Ocean Uptake in the MPAS-Ocean Model Edward Patton National Center for Atmospheric Research BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 98 ERCAP0021187
Assessing the Influence of Background State and Climate Variability on Tropical Cyclones Using Initialized Ensembles and Mesh Refinement in E3SM Ramalingam Saravanan Texas A & M University BER - Earth and Environmental Systems Sciences Division (EESSD) 23,400 100 30 1 ERCAP0021198
Dynamic Downscaling of Climate Projections for DoD Installations V. Rao Kotamarthi Argonne National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 3,000 100 26 1,045 ERCAP0021200
High-Spatial Resolution Models of Atmospheric Chemistry, Aerosols for Regional Scale Climate V. Rao Kotamarthi Argonne National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 833 100 20 1,365 ERCAP0021235
AmeriFlux Management Project Deborah Agarwal Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 840 100 38 200 ERCAP0021244
Next Generation Ecosystem Experiments -- Tropics Charles Koven Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 4,167 100 23 3 ERCAP0021247
Berkeley Water Center Deborah Agarwal Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 191 ERCAP0021248
Understanding Cloud Feedback and Climate Sensitivity in E3SMv1 and CMIP6 Models: Roles of Cloud Microphysics and Aerosol-Cloud Interactions Xiaohong Liu Texas A & M University BER - Earth and Environmental Systems Sciences Division (EESSD) 33,330 100 46 1 ERCAP0021261
Advancing post-wildfire hydrologic response research and recovery efforts with rapid measurements and model developments following the Caldor Fire Erica Woodburn Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 4,000 100 20 4 ERCAP0021318
Design of cloud chamber characteristics to achieve drizzle and aerosol processing Mikhail Ovchinnikov Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 16,667 100 20 1 ERCAP0021333
A Hierarchical Evaluation Framework for Assessing Climate Simulations Relevant to the E-W-L nexus Lai-Yung Ruby Leung Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 10,000 100 25 459 ERCAP0021336
Advancing understanding of the horizontal structure of precipitation through scaling analysis of scanning radar observations and cloud drop size-resolving large eddy simulations Mikael Witte University of California Los Angeles (UCLA) BER - Earth and Environmental Systems Sciences Division (EESSD) 1,400 100 20 1 ERCAP0021354
Using carbonyl sulfide to quantify regional terrestrial biological carbon fluxes John Campbell University of California Santa Cruz BER - Earth and Environmental Systems Sciences Division (EESSD) 333 100 20 1 ERCAP0021358
Interaction of Atmospheric Chemistry and Aerosols with Climate Philip Cameron-Smith Lawrence Livermore National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 397 ERCAP0021359
River Transport and Hydrology in CCSM Marcia Branstetter Oak Ridge National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 1 ERCAP0021370
Beyond the rhizosphere: Microbial functional traits through the whole soil profile and their response to warming Ulas Karaoz Lawrence Berkeley National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 100 100 20 1 ERCAP0021372
Collaborative Project: Developing Coupled Data Assimilation Strategy for Understanding Model Bias and Extreme Climate Events in E3SM Zhengyu Liu Ohio State University BER - Earth and Environmental Systems Sciences Division (EESSD) 21,667 100 20 20 ERCAP0021375
Interdisciplinary Research for Arctic Coastal Environments (InteRFACE) Andrew Roberts Los Alamos National Laboratory BER - Earth and Environmental Systems Sciences Division (EESSD) 53,000 100 20 1 ERCAP0021085
EMSL Molecular Science Software Capability Development Edoardo Apra Pacific Northwest National Laboratory (PNNL) BER - Earth and Environmental Systems Sciences Division (EESSD) 833 1,250 20 1 ERCAP0021675
Theoretical Calculation of Water Vapor Continuum Absorption Andrew Lacis NASA Goddard Institute for Space Studies BER - Earth and Environmental Systems Sciences Division (EESSD) 4,000 100 20 1 ERCAP0020536
Cloud-resolving Climate Modeling of the Earth's Water Cycle Mark Taylor Sandia National Laboratories - New Mexico BER - Earth and Environmental Systems Sciences Division (EESSD) 16,667 111,111 125 329 ERCAP0021361
CATALYST Climate Variability and Prediction Studies Nan Rosenbloom National Center for Atmospheric Research BER - Earth and Environmental Systems Sciences Division (EESSD) 309,667 3,000 20 3,662 ERCAP0020104
Molecular simulation of complex molecular phenomena at interfaces Jim Pfaendtner University of Washington BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 60,800 100 20 1 ERCAP0020913
Benchmark Non-Equilibrium Non-Covalent Interactions Extension Robert A. DiStasio Jr. Cornell University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 8,080 100 20 1 ERCAP0020903
Testing meta-generalized gradient approximations for atoms, molecules and solids. Jianwei Sun Tulane University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 10,430 100 20 1 ERCAP0020896
Strong Light Matter Coupling, Electronic Transitions, and Nuclear Motion in Cavities and Beyond Joseph Subotnik University of Pennsylvania BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,200 100 20 2 ERCAP0020875
Simulation of Lignocellulose Structure and Formation Loukas Petridis Oak Ridge National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 17,610 100 20 4 ERCAP0020856
A Low-Cost Wavefunction-Based Method for Nanoscale Systems Ka Un Lao Virginia Commonwealth University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,000 100 20 1 ERCAP0020838
Mechanism and Modeling of Soot Formation Michael Frenklach University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,010 100 20 1 ERCAP0020808
Highly controlled design of complex reactive surfaces Gregory Collinge Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,210 100 20 1 ERCAP0020800
Rational catalyst design for energy production Andreas Heyden University of South Carolina BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 45,140 100 20 1 ERCAP0020794
All-electron density functional theory calculations Vikram Gavini University of Michigan BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 14,470 100 20 1 ERCAP0020793
Crystal Packing Optimization for Singlet Fission Josef Michl University of Colorado at Boulder BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,010 100 20 1 ERCAP0020769
Computational study for catalysis and separations De-en Jiang University of California Riverside BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,100 100 20 1 ERCAP0020756
Targeting C-H bonds in upgrading of biomass-derived compounds via heterogeneous catalysis Gregory Collinge Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,070 100 20 1 ERCAP0020755
Rapid Computer-Aided Construction of Chemical Kinetic Models William Green Massachusetts Institute of Technology BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 12,530 100 20 1 ERCAP0020728
Electronic structure analysis of ground and excited states of third-row transition metals complexes and their DFT benchmarking Heather Kulik Massachusetts Institute of Technology BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,000 100 20 1 ERCAP0020726
Boosting electrocatalysis on transition-metal dichalcogenides by topological surface states Guoxiang Hu Queens College, CUNY BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 400 100 20 1 ERCAP0020915
ab initio studies of transition metal-containing cations using MOLPRO Ricardo Metz University of Massachusetts - Amherst BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 100 100 20 1 ERCAP0020983
Guest-host interactions in the gas phase, in aqueous systems and hydrate lattices Sotiris Xantheas Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 124,150 22,410 20 7 ERCAP0021818
Computational Simulations of Metal-Organic, Single Molecular Junctions and Complex Interfacial Phenomena Yongsheng Leng George Washington University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,000 100 20 1 ERCAP0021014
Advanced Potential Energy Surfaces for Condensed Phase Simulation Teresa Head-Gordon Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,900 100 20 1 ERCAP0021210
Descriptor based modeling of atomically precise alloy nanostructures for electrochemical CO2 conversion Ioannis Bourmpakis University of Pittsburgh BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 680 100 20 1 ERCAP0021207
Novel Catalytic Pathways to Energy Carriers Bojana Ginovska Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,220 100 20 1 ERCAP0021206
Investigating Performance and Energy Consumption in the Development of Exascale Software for Heterogeneous and Interfacial Catalysis Masha Sosonkina Old Dominion University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 140 3,740 20 1 ERCAP0021525
DFT and ML Studies Towards the Quantum Material Press Efthimios Kaxiras Harvard University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 19,260 3,430 20 1 ERCAP0020773
Clay Mineral Surface Geochemistry Ian Bourg Princeton University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 83,970 3,170 20 176 ERCAP0020872
Effects of through-space interactions in heterogeneous catalysis Stephanie Kwon Colorado School of Mines BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,350 100 20 1 ERCAP0021167
First-Principles Modeling of Semiconductor-Molecule Interfaces for Liquid Solar Fuels Yosuke Kanai University of North Carolina at Chapel Hill BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 700 100 20 1 ERCAP0021125
FLOSIC: efficient density functional calculations without self-interaction Koblar Jackson Central Michigan University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 12,500 100 20 1 ERCAP0021116
Functionalized Nanoparticles on Graphene for Photocatalysis and Chem/Bio Sensing Simuck Yuk United States Military Academy (USMA) - West Point BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 750 100 20 1 ERCAP0021115
Bio-inspired nanoreactors Bin Wang University of Oklahoma BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,120 100 20 1 ERCAP0021090
Plasmonic Catalysis at the Interfaces Bin Wang University of Oklahoma BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,060 100 20 1 ERCAP0021089
Development of New Force Fields using Machine Learning and First Principles Physics Subramanian Sankaranarayanan Argonne National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 46,760 100 20 1 ERCAP0021069
Computational modeling of self- and directed assembly of nanoparticles at the mesoscale Subramanian Sankaranarayanan Argonne National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 26,000 100 20 1 ERCAP0021068
Modeling solvent effects in biomolecular structure and phase behavior Dilip Asthagiri Rice University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 150 100 20 1 ERCAP0021044
High-fidelity simulations of multi-mode compression and alternative-fuel effects in rapid compression machines Matthias Ihme Stanford University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 28,000 100 20 1 ERCAP0021039
First-principles modeling of quantum defects Chris Van de Walle University of California Santa Barbara BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,650 100 20 1 ERCAP0021021
High Throughput Computational Platform for Predictive Modeling of Thermochemical and Physical Properties of Molten Salts and Beyond Shunli Shang Penn State University - University Park BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,160 100 20 1 ERCAP0020724
Interpreting operando X-ray spectra of chemistry at interfaces Walter Drisdell Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 6,130 100 20 1 ERCAP0020680
Interfacial Structure and Dynamics in Ion Separations Vassiliki-Alexandra Glezakou Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 64,770 100 20 1 ERCAP0020675
Simultaneous Activation of CO2 and Light Alkanes: Dry Reforming and Oxidative Dehydrogenation Jingguang Chen Columbia University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 790 100 20 1 ERCAP0020594
New correlated numerical methods for attosecond molecular single ionization Luca Argenti University of Central Florida BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,580 100 20 1 ERCAP0020276
Hydration mechanisms in nanoparticle interaction and surface energetics Dusan Bratko Virginia Commonwealth University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 510 100 20 1 ERCAP0020267
Non-equilibrium statistical mechanics of condensed matter David Limmer University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 7,680 2,550 20 1 ERCAP0020062
Electronic structure analysis of ground and excited states of superatomic superalkalis Isuru Ariyarathna Massachusetts Institute of Technology BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 320 100 20 1 ERCAP0020244
Calculations of Collisional Energy Transfer Using Mixed Quantum/Classical Theory Dmitri Babikov Marquette University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,320 100 20 47 ERCAP0020239
Beyond-DFT Electrochemistry with Accelerated and Solvated Techniques (BEAST) Ravishankar Sundararaman Rensselaer Polytechnic Institute BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 15,120 20,750 20 1 ERCAP0020105
Imaging and Calibration of Mantle Structure at Global and Regional Scales Using Full-Waveform Seismic inversion Barbara Romanowicz University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,030 100 20 3 ERCAP0020227
QM/MM Studies of High-Valent Manganese Complexes Victor Batista Yale University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,290 12,450 20 1 ERCAP0021388
Simulations of electron-hole relaxation dynamics on functionalized TiO2-anatase surfaces Victor Batista Yale University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,300 12,450 20 1 ERCAP0021347
Computational Tools for Illuminating Photosynthetic Light Harvesting Systems Jeffrey Neaton Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,440 100 20 1 ERCAP0020173
Computational modeling to design electrocatalysts for energy storage and production Peter Rice Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 24,860 100 20 1 ERCAP0020149
Computational design of metal extractants Theresa Windus Ames Laboratory Iowa State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,000 100 20 1 ERCAP0020144
Electron and Photon Collisions with Atoms and Molecules C. William McCurdy Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 190 100 20 1 ERCAP0020143
Theoretical studies of the soot nucleation mechanism Alexander Mebel Florida International University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,530 100 20 1 ERCAP0020142
Molecular Dynamics Simulations of Molten Salts Edward Maginn University of Notre Dame BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 100 12,450 20 1 ERCAP0020442
Electronic Structure and Core Level Spectroscopy of Molecular Photocatalysts Amy Cordones Hahn SLAC National Accelerator Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 550 100 20 1 ERCAP0020135
Chemical Origin of Elastic Properties in MOFs Robert A. DiStasio Jr. Cornell University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 6,350 100 20 1 ERCAP0020133
Mechanisms of Atomic- to Pore-Scale Geochemical Processes Andrew Stack Oak Ridge National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 8,800 100 20 1 ERCAP0020278
Quantum mechanical calculations to improve analysis of X-ray data of Photosystem II Jan Kern Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 450 100 20 1 ERCAP0021245
Computational screening of redox couples for the direct air capture of CO2 via electrochemical pH swing Sarah Allec Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,790 100 20 1 ERCAP0020281
Nonadiabatic photochemistry and chemical reactions Donald Truhlar University of Minnesota Twin Cities BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 31,760 100 20 1 ERCAP0020314
Multifunctional Catalysts for the Tandem Reactions of Oxygenates Christopher Paolucci University of Virginia BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,040 100 20 1 ERCAP0020586
Carbon management and energy efficiency Vassiliki-Alexandra Glezakou Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 56,390 100 20 1 ERCAP0020585
Reactivity and transport at complex interfaces Vassiliki-Alexandra Glezakou Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 50,730 100 20 1 ERCAP0020545
Multiscale Simulations of graphene-qubits, interfaces and nanojunctions Hai-Ping Cheng University of Florida BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 15,900 2,940 20 10 ERCAP0020985
Ab initio Molten Salt Chemistry Manh Thuong Nguyen Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,490 100 20 1 ERCAP0020534
Molecular geochemistry of solid-state and interfacial processes Laura Lammers Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 430 100 20 2 ERCAP0020520
Structure and reactivity of water-lean solvents for carbon capture and conversion Loukas Kollias Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 6,070 100 20 1 ERCAP0020459
Enzymatic Energy Conversion Bojana Ginovska Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 17,300 100 20 1 ERCAP0020437
Molecular-dynamics simulations of Photosystem II to to understand water oxidation mechanism Junko Yano Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,530 100 26 1 ERCAP0020434
Quantum Embedding Methods for Nanoporous Materials Jason Goodpaster University of Minnesota Twin Cities BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 19,000 2,820 20 1 ERCAP0021441
Large Scale Molecular Simulations for Diffusive Carbon Dioxide and Bicarbonate Transport across Bacterial Micro Compartments Josh Vermaas Michigan State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 320 2,680 20 1 ERCAP0021030
COMPUTATIONAL SEARCH FOR HIGHLY EFFICIENT 2D & 3D NANO-MATERIALS FOR ENERGY APPLICATIONS Aleksandra Vojvodic University of Pennsylvania BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,400 100 20 1 ERCAP0020428
Development of rare event simulation methods to investigate mineral surface reactivity Adam Wallace University of Delaware BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,390 100 25 1 ERCAP0020405
Machine learning of collective variables through global optimization Benjamin Helfrecht Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,500 2,620 20 1 ERCAP0020097
Novel density functional theory approaches to the statistical mechanics of aqueous systems Christopher Mundy Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 30,760 2,560 20 1 ERCAP0020409
Machine Learning algorithms and AI approaches to Chemical Sciences Teresa Head-Gordon Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 100 20,750 20 1 ERCAP0021633
Computational Multimodal Spectroscopy for 3d Transition Metal Single-Atom Catalysts Prajay Patel Argonne National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 196,000 100 20 1 ERCAP0020334
Multiscale modeling of porous materials for gas storage, separation, and catalysis Donald Truhlar University of Minnesota Twin Cities BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 236,250 100 20 1 ERCAP0020311
Materials Ab Initio Theory David Strubbe University of California Merced BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,940 100 20 1 ERCAP0020122
CO2 to oxalate conversion using main group metals Debmalya Ray University of Minnesota Twin Cities BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,780 100 20 1 ERCAP0021255
Large Scale 3D Geophsycial Inversion & Imaging Michael Commer Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 480 100 20 1 ERCAP0021262
Development of coarse-grain potentials for PNIPAM using Particle Swarm Optimization Sanket Deshmukh Virginia Polytechnic Institute and State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,770 100 20 5 ERCAP0021718
A Combined Experimental and Computational Approach to Understanding and Optimizing Nanoparticle/Supp Graeme Henkelman University of Texas at Austin BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 42,030 100 20 1 ERCAP0021690
Computational Modeling of Hybrid Approaches for Conversion of Solar Energy to Liquid Fuels Mehmed Ertem Brookhaven National Lab BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 250 100 20 1 ERCAP0021689
Electronic structure calculations and simulations of chemical and biological systems Martin Head-Gordon Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 25,600 6,900 20 1 ERCAP0021340
LiSA: The Liquid Sunlight Alliance (LiSA) funded DOE energy hub NERSC allocation (formerly JCAP) Michal Bajdich SLAC National Accelerator Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 67,280 6,810 20 14 ERCAP0019829
Computation-assisted design of Ni catalysts for efficient hydroarylation of unactivated olefins John Hartwig University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 900 100 20 1 ERCAP0021678
Realistic modeling of cluster-based catalytic interfaces Anastassia Alexandrova University of California Los Angeles (UCLA) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 121,890 100 20 1 ERCAP0021671
Designing Metal-Organic Frameworks for Drug Delivery Sanket Deshmukh Virginia Polytechnic Institute and State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 900 100 20 1 ERCAP0021719
Simulating Hydroxide Diffusion in Anion Exchange Membranes Robert A. DiStasio Jr. Cornell University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 66,550 6,640 35 1 ERCAP0020134
Atomic-Scale Simulation of Bulk and Interfacial Properties of Molten Salts Vyacheslav Bryantsev Oak Ridge National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 18,640 6,640 20 1 ERCAP0020487
The role of nanoscale disorder on the optoelectronic properties of molecular semiconductors Adam Willard Massachusetts Institute of Technology BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 860 100 20 1 ERCAP0021572
Ion Solvation and Hydrogen Bonding in Liquid Electrolytes Mark Maroncelli Penn State University - University Park BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,140 100 20 1 ERCAP0021569
Photophysical Properties of Chemically Functionalized Quantum Dots Svetlana Kilina North Dakota State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,130 100 20 1 ERCAP0021563
Data-Driven and Computationally Assisted Design of Near-Infrared Emissive Metal-Organic Complexes with Earth-Abundant Metals Svetlana Kilina North Dakota State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 19,720 100 20 1 ERCAP0021562
Spin-Controllable Dynamics in Defect-Engineered Carbon Nanotubes as Single Photon Emitters: Data-Driven Modeling and Computations Svetlana Kilina North Dakota State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 42,170 100 20 1 ERCAP0021560
Computational Modeling of Photo-catalysis and Photo-induced Charge Transfer Dynamics on Surfaces Dmitri Kilin North Dakota State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 36,840 100 43 1 ERCAP0021557
Perovskite oxynitrides for Ammonia Synthesis Bryan Goldsmith University of Michigan BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,510 100 20 1 ERCAP0021613
Computational Study of Polymer-MOF Mixed Matrix Membranes Sanket Deshmukh Virginia Polytechnic Institute and State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,940 100 20 1 ERCAP0021724
Understanding temperature-induced self-folding of graphene grafted with thermo-sensitive polymers Sanket Deshmukh Virginia Polytechnic Institute and State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,470 100 20 1 ERCAP0021730
Investigation of molecular mechanism of MOF-5 self-assembly using coarse-grained models Sanket Deshmukh Virginia Polytechnic Institute and State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 650 100 20 1 ERCAP0021742
Density Functional Theory for Materials and Complex Molecular Systems Jianzhong Wu University of California Riverside BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 425 9,960 20 1 ERCAP0021610
Ab initio simulation of liquid water and solvated ions by hybrid and van der waals functional Xifan Wu Temple University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 7,370 8,300 20 1 ERCAP0021341
Computational Modeling Of Molecular-Based Materials For Sustainable Energy Laura Gagliardi University of Chicago BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 12,600 100 20 1 ERCAP0021925
Ab initio Quantum Mechanical Approaches to the Combustion Chemistry of Energetic Materials Ghanshyam Vaghjiani Air Force Research Lab BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 100 100 20 1 ERCAP0021857
Using NMR to characterize Sn zeolites Ambarish Kulkarni University of California Davis BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 490 100 20 1 ERCAP0021846
Kinetic models of coupled gas-phase and surface-mediated reactions over catalytic surfaces Ambarish Kulkarni University of California Davis BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 7,610 100 20 1 ERCAP0021845
Enhanced modeling of synchrotron data using DFT-based approaches Ambarish Kulkarni University of California Davis BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,200 100 20 1 ERCAP0021838
Post-Marcus Theory & Simulation of Interfacial Charge Transfer in Organic Semiconducting Materials Margaret Cheung University of Houston BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 580 100 20 1 ERCAP0021835
Multiscale modeling of Cu-zeolites for methane valorization Ambarish Kulkarni University of California Davis BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 630 100 20 1 ERCAP0021817
High-Entropy Alloys for Ammonia Decomposition Ambarish Kulkarni University of California Davis BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,130 100 20 1 ERCAP0021801
Numerical methods for quantum many-body physics Daniel Haxton University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,380 100 20 1 ERCAP0021798
Modeling the dynamics of silica zeolites using machine learning Ambarish Kulkarni University of California Davis BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,520 100 20 1 ERCAP0021791
Applying Deep Learning Methods to Develop New Models of Molecular Charge Transfer, Nonadiabatic Dynamics, and Nonlinear Spectroscopy in the Condensed Phase Thomas Markland Stanford University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 21,000 62,250 20 1 ERCAP0019987
Unveiling reaction mechanisms at the electrode/electrolyte interfaces by first-principles modeling Vitali Alexandrov University of Nebraska - Lincoln BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,070 100 20 1 ERCAP0021775
Hierarchical, Scalable Green's Function Modeling of Chemistry at Interfaces Mark van Schilfgaarde National Renewable Energy Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,500 57,150 20 1 ERCAP0021783
DFT elucidation of the interaction of acid gases with transition alkali promoted supported MoS2 catalysts for sour natural gas upgrading Jonas Baltrusaitis Lehigh University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,150 100 20 1 ERCAP0021747
Multiscale simulations of rate-limiting energy conversion steps in cyanobacterial photosynthetic domains Emad Tajkhorshid University of Illinois at Urbana-Champaign BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 100 7,060 20 1 ERCAP0021658
Principles of Chemical Recognition and Transport in Separations Vyacheslav Bryantsev Oak Ridge National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 15,070 6,230 20 1 ERCAP0020739
Electronic Structure Calculations for Energy-Efficient Reactions at Liquid- Solid and Gas-Sol Jeffrey Greeley Purdue University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,340 100 20 1 ERCAP0021530
Geo-inspired Separation of Rare Earth Elements Yong Han Ames Laboratory Iowa State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 86,630 100 20 1 ERCAP0021524
Molecular-Based Simulation of Complex and Nanostructured Fluids Peter Cummings Vanderbilt University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,230 6,230 20 1 ERCAP0021032
IMASC EFRC: Modelling catalytic reactivity at bimetallic surfaces Philippe Sautet University of California Los Angeles (UCLA) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 8,640 100 20 1 ERCAP0021344
Development of Active-Learning Methods and High Throughput Simulation Datasets for Catalysis Zachary Ulissi Carnegie Mellon University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 85,730 26,560 20 1 ERCAP0021410
Pressure-Dependent Structural Changes in Hybrid and Inorganic Perovskite Photovoltaics Trevor Tyson New Jersey Institute Of Technology BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,850 100 20 1 ERCAP0021334
Interrogating Selective Metal-Adsorbate Interactions in Metal-Organic Frameworks Jeffrey Neaton Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 89,460 4,320 20 1 ERCAP0020228
Relativistic quantum dynamics in the non-equilibrium regime Albert De Prince Florida State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 283,500 26,150 20 1 ERCAP0020689
Energy Conversion in Photosynthesis Junko Yano Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,670 4,160 260 73 ERCAP0021209
Cal-Cryo Facility Projects Paul Tobias University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 840 100 107 1 ERCAP0021314
Computational modeling to design materials and catalysts for hydrogen storage and release Samantha Johnson Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 650 100 20 1 ERCAP0021313
Machine Learning for i) building DFT XC functionals and ii) Neural Networks potentials Abdelkader Kara University of Central Florida BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 17,500 100 20 1 ERCAP0021312
Optimizing Electron-hole Recombination Lifetime and Carrier Mobility through Ligand Engineering of S Yuan Ping University of California Santa Cruz BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,890 100 20 1 ERCAP0021302
Molecular Insights into Condensed Phase Heterogenous Catalytic Processes for Biomass Conversion Neeraj Rai Mississippi State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 11,550 100 20 1 ERCAP0021290
Computational Methods Applied to Synthetic Catalysts Teresa Head-Gordon Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 40,060 100 20 1 ERCAP0021279
C-GeM: A Reactive FF for Chemical Reactivity Teresa Head-Gordon Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 12,570 100 20 1 ERCAP0021276
Nonadiabatic Processes in Relevant to Nonadiabatic Photochemistry David Yarkony Johns Hopkins University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,030 100 20 1 ERCAP0021275
Molecular Resolution Electrochemistry Teresa Head-Gordon Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 34,950 100 20 1 ERCAP0021274
Interfaces to Control Chemical Reactivity of Confined Liquids Teresa Head-Gordon Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 122,410 100 20 1 ERCAP0021273
Design of optical materials with enhanced properties Artem Masunov University of Central Florida BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 300 100 20 1 ERCAP0021263
Molecular modeling of nanoscale platinum catalysts on multiedge functional carbon supports Bin Liu Kansas State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,800 100 20 1 ERCAP0021349
Statistical and Mesoscopic Mechanics of Lipid Membranes and Glasses Kranthi Mandadapu University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 22,840 4,150 20 31 ERCAP0020754
Simulating and Understanding Charge Transfer and Ultrashort-lived Excitations in Surface Femtochemistry Johannes Voss SLAC National Accelerator Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 9,290 100 20 1 ERCAP0021350
Quantum Dynamical Study of Charge and Energy Transfer Processes in the Condensed Phase Haobin Wang University of Colorado at Denver BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,040 100 20 1 ERCAP0021373
Ion solvation in nonuniform aqueous environments Phillip Geissler University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 400 100 20 1 ERCAP0021503
Determining the coordination structures of lanthanide-ligand complexes with ab initio molecular dynamics David Cantu Cantu University of Nevada Reno BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 6,300 100 20 1 ERCAP0021496
Unraveling the mechanistic basis of the CRISPR-Cas9 mediated genome editing Giulia Palermo University of California Riverside BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,340 100 20 1 ERCAP0021468
Chemical Kinetic Model Development for Oxifuel Combustion Artem Masunov University of Central Florida BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 300 100 20 1 ERCAP0021462
Linking complex structure with redox kinetics for cerium ions in acidic electrolytes Bryan Goldsmith University of Michigan BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 500 100 20 1 ERCAP0021451
Advanced Quantum Monte Carlo and Quantum Chemistry Methods for Molecular Excitations Eric Neuscamman University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,320 100 20 1 ERCAP0021450
Molecular Dynamics of Geologically Important Fluids and Mineral-Fluid Interfaces Narasimhan Loganathan Michigan State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 8,990 100 20 13 ERCAP0021449
Computational Chemical Science Center: Chemistry in Solution and at Interfaces Roberto Car Princeton University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 72,230 44,970 20 1 ERCAP0021510
Linking Adsorption Strength to Chemical Fate of Organic Pollutants in Aqueous Media Bryan Goldsmith University of Michigan BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 960 100 20 1 ERCAP0021440
Understanding Electrocatalytic Hydrogenation of Model Bio-Oils in Aqueous Solution Bryan Goldsmith University of Michigan BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 450 100 20 1 ERCAP0021436
First principles study of correlation effects in solids Sergei Iskakov University of Michigan BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 8,300 5,810 23 1 ERCAP0020359
Cation-exchanged zeolites for CO2 adsorption from wet flue gas streams Ambarish Kulkarni University of California Davis BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 890 100 20 1 ERCAP0021412
Benchmarks for NWChem/SPEC libraries Sotiris Xantheas Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 112,570 34,030 20 4 ERCAP0021793
Development of chem- and material informatics tools for materials discovery Maciej Haranczyk Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,480 100 20 1 ERCAP0021396
Charge transfer excited states of organic molecules Tunna Baruah University of Texas at El Paso BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,150 100 20 1 ERCAP0021394
X-ray spectroscopy as a probe of ultrafast dynamics Valeriu Scutelnic University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 150 100 20 1 ERCAP0021392
Semiclassical and Quasi-Classical Approaches for Molecular Reaction and Condensed Matter Dynamics Stephen Cotton University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 7,690 100 20 1 ERCAP0021374
Active site requirements and mechanistic origins of metal and metal oxide catalyzed hydrogenation and dehydrogenation. Enrique Iglesia University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,070 100 20 1 ERCAP0021368
Combining Impulsive Nuclear Raman and X-ray Scattering (INXS) to determine how water solvates diverse solutes Thomas Markland Stanford University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,670 100 20 1 ERCAP0020121
From Molecules to Continuum: Developing a Universal Approach for Accurate Description of X-ray Photoelectron Spectroscopy Fingerprints from Ab-initio. Jin Qian Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 45,980 100 20 1 ERCAP0020767
Direct Numerical Simulations of Combustion under Intense Sheared Turbulence and Nonequilibrium Conditions Jacqueline Chen Sandia National Laboratories - California BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 92,030 20,750 77 260 ERCAP0020203
Operando and Advanced Catalyst Characterization via Electronic Spectroscopy and Structure Fernando Vila University of Washington BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 540 100 20 1 ERCAP0020014
The Rare Earth Project Wibe (Bert) de Jong Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 7,230 1,000 20 1 ERCAP0021249
Surfaces and Interfaces of Photocatalytic Metal-oxide Materials Annabella Selloni Princeton University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 38,490 16,600 20 1 ERCAP0021135
From Wave Functions to Exchange Correlation for Large-Scale Electronic Structure Paul Zimmerman University of Michigan BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 34,020 16,600 20 1 ERCAP0020928
Design and Simulation of Molecular Magnetic Qubits and Spin Transport across Molecules. Mark Pederson University of Texas at El Paso BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 200 1,000 40 1 ERCAP0021823
First principles simulation of energy storage material and solid-state battery Tod Pascal University of California San Diego BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,650 100 20 1 ERCAP0020011
Computational Atomic and Molecular Physics for Basic Energy Sciences Michael Pindzola Auburn University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,070 100 20 2 ERCAP0019759
Computational design of porous catalysts Peng Bai University of Massachusetts - Amherst BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 7,000 850 20 1 ERCAP0021594
Graph-based generative modelling for materials discovery and design. Victor Fung Oak Ridge National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 2,390 750 20 1 ERCAP0020900
Unbiased Exploration of Massive Chemical Reaction Networks Samuel Blau Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 23,340 720 20 1 ERCAP0021386
Heterogeneous Catalysis and Chemical Transformations from First Principles Andrew Rappe University of Pennsylvania BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 150 2,080 20 1 ERCAP0019765
Computational studies of supported nanoparticles in heterogeneous catalysis Ping Liu Brookhaven National Lab BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,080 100 20 1 ERCAP0019897
CHEMISTRY AND PHYSICS AWARE NEURAL NETWORKS TO ACCELERATE IN-SILICO DISCOVERY IN CONDENSED MATTER CHEMISTRY Piotr Zarzycki Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 530 20,750 20 1 ERCAP0021202
Machine Learning for Hydrocarbon Clustering Habib Najm Sandia National Laboratories - California BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 340 500 20 1 ERCAP0021664
First Principles Calculations for Lithium-Ion Battery Electrodes Roy Benedek Argonne National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 260 100 20 1 ERCAP0019885
Theoretical Spectroscopy of Complex Systems Liang Shi University of California Merced BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 530 175 20 1 ERCAP0020256
Geochemical Mechanisms Controlling Rare Earth Element and Platinum Group Element Migration and Enrichment during Crustal Aqueous Alteration and Weathering Eric Bylaska Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 63,000 200 20 1 ERCAP0021938
Solid acid catalysis Dionisios Vlachos University of Delaware BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,410 100 20 1 ERCAP0019971
AIMD and simulated XAS studies in catalysis Mal Soon Lee Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 15,750 100 20 1 ERCAP0019937
Computational Studies in Molecular Geochemistry Eric Bylaska Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,860 200 20 1 ERCAP0021870
Theoretical spectra calculations of liquid water and ion solutions Xifan Wu Temple University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 6,490 20,750 20 1 ERCAP0021389
Ultrafast dynamics of correlated electron processes Loren Greenman Kansas State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,780 500 20 1 ERCAP0021224
Self-consistent implementation of locally scaled self-interaction-correction method for removing self-interaction errors from density functional calculations Rajendra Zope University of Texas at El Paso BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 4,500 500 20 1 ERCAP0021435
Prediction of Reaction Energies via Variational Autoencoder. Malgorzata Makos Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,140 400 20 1 ERCAP0021134
Simulating the Dynamics of Driven Electrochemical Interfaces Adam Willard Massachusetts Institute of Technology BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 570 370 20 1 ERCAP0021584
Space-Time Quantum Information from the Entangled States of Magnetic Molecules Ruqian Wu University of California Irvine BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,770 250 20 1 ERCAP0021656
Modeling of C-C and C-H bond functionalization over single atom catalysts supported by redox non-innocent LTO and LMO support Jiayi Xu Argonne National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 10,170 100 20 1 ERCAP0019958
High temperature electronic structure theory using density matrix quantum Monte Carlo James Shepherd University of Iowa BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 18,520 100 20 1 ERCAP0019952
Probing Ultrafast Electron (De)localization Dynamics in Mixed Valence Complexes Using Femt Niranjan Govind Pacific Northwest National Laboratory (PNNL) BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 590 250 20 1 ERCAP0021702
Advanced Simulation of Pore Scale Flow and Transport Processes in Nanoporous Materials David Trebotich Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 38,420 20,750 1,222 3,065 ERCAP0020370
First-Principles Catalyst Design for Environmentally Benign Energy Production Manos Mavrikakis University of Wisconsin - Madison BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 450,230 100 20 1 ERCAP0019973
Electrocatalysis/electrochemistry/fuel cells Dionisios Vlachos University of Delaware BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,000 100 20 1 ERCAP0020021
Molecular modeling of the acid-base chemistry of the water saturated clay systems Piotr Zarzycki Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 1,000 20,750 20 1 ERCAP0021188
Plasma Dionisios Vlachos University of Delaware BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,430 100 20 2 ERCAP0020022
Exploring Machine Learned Potentials Using Diffusion Monte Carlo Anne McCoy University of Washington BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 230 1,400 20 1 ERCAP0020502
Developing Multi-Scale Models for the Effective Design of Bimetallic Catalysts Jean-Sabin McEwen Washington State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 5,120 1,420 20 1 ERCAP0021080
Simulated pump-probe attosecond dynamics Stephen Leone Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 25,400 1,360 100 1 ERCAP0020263
Quantum Mechanical Prediction of the Energetic and Magnetic Properties of Complex Transition Metal Systems Ian Alberts CUNY LaGuardia Community College BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 630 100 20 1 ERCAP0019855
SUNCAT-FWP CATALYSIS NERSC PROJECT Michal Bajdich SLAC National Accelerator Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 77,940 14,530 20 1 ERCAP0020851
Atomistic-scale simulations and data-assimilation of ultrafast x-ray measurements for examine fluid-surface interaction in complex environments (DOE EFRC and DOE BES) Matthias Ihme Stanford University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 79,000 1,640 20 4 ERCAP0021046
Computational Resources for the FIRST (Fluid Interfaces: Reactions, Structure and Transport) EFRC Peter Cummings Vanderbilt University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 9,770 1,120 20 4 ERCAP0021031
Towards Accelerated Electrochemical Direct Air Capture (DAC) in Non-aqueous Solvents (NAS) Samuel Blau Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 31,540 1,750 20 1 ERCAP0021728
Holistic materials design of heterogeneous catalysts Florian Goeltl University of Arizona BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 6,880 100 20 1 ERCAP0019821
Structure, Energetics and Dynamics of Metal, Including Alloy, Nanoparticles; Interactions of Cluster Julius Jellinek Argonne National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,550 100 20 8 ERCAP0019861
Ab Initio Ice Triple Point Robert A. DiStasio Jr. Cornell University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 14,470 1,000 20 1 ERCAP0020129
Modeling Metal-Organic Frameworks for Gas Storage, Separations, and Catalysis Randall Snurr Northwestern University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 38,230 100 40 1 ERCAP0020094
Many-body molecular dynamics of molecular fluids in bulk solutions and porous materials Francesco Paesani University of California San Diego BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 6,780 1,880 20 1 ERCAP0020478
ALS-COLTRIMS Thorsten Weber Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 100 100 20 1 ERCAP0019776
Quantum dynamics of elementary reactions in the gas phase and on surfaces Hua Guo University of New Mexico BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 3,770 100 20 1 ERCAP0020032
Inner and Outer Shell Photoabsorption by Positive and Negative Ions and Neutral Atoms Steven Manson Georgia State University BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 9,000 100 20 4 ERCAP0019863
Simulations of nonlinear optical spectra and energy transfer dynamics of photosynthesis Tsung-Yen Lee University of California Berkeley BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 300 100 20 1 ERCAP0020101
EM-CITED: Energy Materials Chemistry Integrating Theory, Experiment and Data Science John Gregoire California Institute of Technology BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 15,750 100 20 1 ERCAP0020057
An Experimental and Theoretical Approach for Understanding Solid/Gas and Solid/Liquid Interfaces Ethan Crumlin Lawrence Berkeley National Laboratory BES - Chemical Sciences, Geosciences, & Biosciences (CSGB) 159,280 2,300 20 1 ERCAP0021552
Ab initio calculations on the cuprates and non-equilibrium quantum materials simulations Garnet Chan California Institute of Technology BES - Materials Sciences and Engineering 40,000 3,000 300 1 ERCAP0020088
Optoelectronic properties of hybrid organic-inorganic semiconductors (HOIS) Yanfa Yan University of Toledo BES - Materials Sciences and Engineering 3,000 100 20 1 ERCAP0021132
Computational Materials Theory Markus Eisenbach Oak Ridge National Laboratory BES - Materials Sciences and Engineering 7,000 100 20 1 ERCAP0021136
Role of Heterogeneous Grain-Boundary Segregation on Shear Localization Mechanisms in Nanocrystalline Alloys Frederic Sansoz University of Vermont BES - Materials Sciences and Engineering 5,040 100 20 1 ERCAP0020786
Atomic-scale understanding of ion conduction and interfacial processes in novel solid-state sodium batteries Badri Narayanan University of Louisville BES - Materials Sciences and Engineering 7,785 100 20 1 ERCAP0021146
Oxidie supported Metal-Organic complex as highly efficient single site catalysts Duy Le University of Central Florida BES - Materials Sciences and Engineering 8,000 100 20 1 ERCAP0021075
Design and Validation of Defect-Resistant Multinary Chalcogenide Semiconductors for Energy Conversion Volker Blum Duke University BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0021071
Machine learning the metastable phase diagram of materials from quantum calculations Subramanian Sankaranarayanan Argonne National Laboratory BES - Materials Sciences and Engineering 40,000 100 20 1 ERCAP0021070
Exploring materials interfaces and their evolving chemistry David Prendergast Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 125,000 10,000 20 1 ERCAP0021356
Joint Center for Energy Storage Research Kristin Ceder-Persson Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 125,000 25,000 20 1 ERCAP0020226
Theoretical spectroscopy of correlated materials: development and application Gabriel Kotliar Brookhaven National Lab BES - Materials Sciences and Engineering 18,000 100 20 140 ERCAP0021111
Density functional theory of photovoltaic materials Yanfa Yan University of Toledo BES - Materials Sciences and Engineering 3,000 100 20 1 ERCAP0021138
First principles studies of growth mechanism, novel properties, and functionalization of quantum materials Mina Yoon Oak Ridge National Laboratory BES - Materials Sciences and Engineering 5,000 10,000 20 1 ERCAP0021141
Computational Prediction and Discovery of Novel Materials for Energy Applications Cai-Zhuang Wang Ames Laboratory Iowa State University BES - Materials Sciences and Engineering 30,000 100 20 1 ERCAP0020917
Predictive Modeling of the Structures and Properties of Energy-Relevant Materials Yongxin Yao Ames Laboratory Iowa State University BES - Materials Sciences and Engineering 3,000 100 20 1 ERCAP0020918
Theory of nanostructured materials Jeffrey Neaton Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 50,000 100 20 130 ERCAP0020923
DFT study of interface properties of Al-Ce-X/metal-matrix-composite alloys Feng Zhang Ames Laboratory Iowa State University BES - Materials Sciences and Engineering 2,500 100 20 1 ERCAP0020930
Parallel simulation of time-resolved pump-probe spectroscopy and driven dissipative systems for QI James Freericks Georgetown University BES - Materials Sciences and Engineering 1,000 100 20 1 ERCAP0020940
Dynamics of electrons and atoms in quantum materials Alexander Kemper North Carolina State University BES - Materials Sciences and Engineering 500 100 20 1 ERCAP0020945
Elasticity calculations for Resonant Ultrasound Spectroscopy data James Analytis University of California Berkeley BES - Materials Sciences and Engineering 1,000 100 20 1 ERCAP0019783
Theoretical Studies of Complex Materials Valentino Cooper Oak Ridge National Laboratory BES - Materials Sciences and Engineering 12,500 100 20 4 ERCAP0020954
Qbox / Midwest Center for Computational Materials Francois Gygi University of California Davis BES - Materials Sciences and Engineering 12,500 100 20 1 ERCAP0020961
Structure Prediction and Design of Inorganic Interfaces Noa Marom Carnegie Mellon University BES - Materials Sciences and Engineering 22,500 200 20 116 ERCAP0020238
Studying Electronic Structures of Metallic Materials with Stochastic Electronic Structure Methods Ming Chen Purdue University BES - Materials Sciences and Engineering 8,000 100 20 1 ERCAP0020891
Computational study of properties and underlying physics of materials for energy applications Andrew Rappe University of Pennsylvania BES - Materials Sciences and Engineering 40,000 3,000 20 2 ERCAP0019766
Multiscale Modeling of Carbon and Boron-Based Nanomaterials Boris Yakobson Rice University BES - Materials Sciences and Engineering 21,700 100 20 1 ERCAP0020880
Non-Equilibrium Phases of Transition Metal Compounds James Rondinelli Northwestern University BES - Materials Sciences and Engineering 23,887 100 20 1 ERCAP0020980
Less common topological phenomena in bulk materials Igor Mazin George Mason University BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0020864
Data-Driven First-principles Study of the Structure-Property Relationship of Multicomponent Complex Material Systems Wei Chen Illinois Institute of Technology BES - Materials Sciences and Engineering 2,500 100 20 1 ERCAP0021023
First-principles modeling of nitride and oxide materials Chris Van de Walle University of California Santa Barbara BES - Materials Sciences and Engineering 30,936 100 20 99 ERCAP0021024
Electronic and Optical Properties of Layered Materials for Energy Applications Diana Qiu Yale University BES - Materials Sciences and Engineering 50,000 100 20 39 ERCAP0020843
NREL BES projects Stephan Lany National Renewable Energy Laboratory BES - Materials Sciences and Engineering 3,000 100 20 1 ERCAP0020832
Computational discovery and design of energy and quantum materials Qimin Yan Temple University BES - Materials Sciences and Engineering 26,000 3,000 20 1 ERCAP0021770
Ab initio modeling and simulation of formation and stability of metal nanostructures intercalated in layered materials Yong Han Ames Laboratory Iowa State University BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0021035
Anharmonic phonon thermodynamics from first principles using graph kernels Jorge Munoz University of Texas at El Paso BES - Materials Sciences and Engineering 2,500 150 20 1 ERCAP0021558
First-principles simulation of interfaces in functional materials: Engineering defect chemistry for renewable energy and nanoelectronics applications Bilge Yildiz Massachusetts Institute of Technology BES - Materials Sciences and Engineering 3,000 100 20 1 ERCAP0020824
Orbital-free Quantum Simulation Methods for Application to Warm Dense Matter Samuel Trickey University of Florida BES - Materials Sciences and Engineering 2,125 100 20 2 ERCAP0020878
Mapping the genome of coherent quantum defects for Quantum Information Science Geoffroy Hautier Dartmouth College BES - Materials Sciences and Engineering 80,000 100 20 1 ERCAP0020966
Design of structural inhomogeneities to control functional properties Petr Sushko Pacific Northwest National Laboratory (PNNL) BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0021303
Codesign of Ultra-Low-Voltage Beyond CMOS Microelectronics Ramamoorthy Ramesh University of California Berkeley BES - Materials Sciences and Engineering 20,000 10,000 20 1 ERCAP0021802
Synthesis and Observation of Emergent Phenomena in Heusler Compound Heterostructures Anderson Janotti University of Delaware BES - Materials Sciences and Engineering 7,775 1,000 20 1 ERCAP0021133
First-principles theory of Hybrid Organic-Inorganic Semiconductors for Energy Volker Blum Duke University BES - Materials Sciences and Engineering 20,000 1,000 20 1 ERCAP0021040
Density Functional Theory Study of Complex Oxides Under Mechanical Stresses and Electric Fields Krystyn Van Vliet Massachusetts Institute of Technology BES - Materials Sciences and Engineering 9,932 100 20 1 ERCAP0021561
Linking Vibrational Dynamics and Electrical Mobility in Small Molecule Organic Semiconductors Adam Moule University of California Davis BES - Materials Sciences and Engineering 5,000 1,000 20 1 ERCAP0020615
The Materials Genome Kristin Ceder-Persson Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 250,000 50,000 272 90 ERCAP0020225
Structure prediction for photovoltaic interfaces Stephan Lany National Renewable Energy Laboratory BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0021604
First Principles Exploration for New Spintronics Materials Ruqian Wu University of California Irvine BES - Materials Sciences and Engineering 7,500 100 20 1 ERCAP0021609
First-principles electron-phonon interactions and carrier dynamics in novel semiconductors and semimetals Marco Bernardi California Institute of Technology BES - Materials Sciences and Engineering 12,500 1,000 20 1 ERCAP0020325
Shining light on intrinsic anion and cation instabilities in hybrid perovskites Masaru Kuno University of Notre Dame BES - Materials Sciences and Engineering 10,000 1,000 20 1 ERCAP0020132
Understanding defect-driven reversible phase transitions in rare-earth nickelates for novel memory devices Badri Narayanan University of Louisville BES - Materials Sciences and Engineering 15,050 100 20 1 ERCAP0021672
Computational Resources for the Nanomaterials Theory Institute at the CNMS Paul Kent Oak Ridge National Laboratory BES - Materials Sciences and Engineering 50,000 7,000 20 69 ERCAP0020403
First-principles modeling of defects and materials properties for energy pplications Shengbai Zhang Rensselaer Polytechnic Institute BES - Materials Sciences and Engineering 22,500 100 20 3 ERCAP0021513
Toward optical quantum entanglement on a 2D ferroelectric/ferroelastic platform Salvador Barraza-Lopez University of Arkansas BES - Materials Sciences and Engineering 7,500 100 20 1 ERCAP0021708
First principles simulations of nanostructures Giulia Galli University of Chicago BES - Materials Sciences and Engineering 125,000 2,000 20 9 ERCAP0020950
Carbon-based clathrates as a new class of sp3-bonded framework materials Timothy Strobel Carnegie Institution of Washington BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0021774
Theory and design of functional quantum materials Sinead Griffin Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 15,000 100 20 1 ERCAP0021796
Electronic, Optical, and Electrochemical Properties of Doped Metal Oxides Epitaxial Films and Interfaces Petr Sushko Pacific Northwest National Laboratory (PNNL) BES - Materials Sciences and Engineering 4,000 100 20 1 ERCAP0021800
Traversing the "death valley" separating short and long times in non-equilibrium quantum dynamical simulations of real materials Sergei Iskakov University of Michigan BES - Materials Sciences and Engineering 6,500 100 20 1 ERCAP0021805
Rh(111) and ZrB2(0001) surfaces Weronika Walkosz Lake Forest College BES - Materials Sciences and Engineering 1,000 100 20 1 ERCAP0021812
Electronic and Thermoelectric Properties of Nano Materials for Electronic and Energy Storage Devices Hye Ryoung Lee Stanford University BES - Materials Sciences and Engineering 20,000 100 20 1 ERCAP0021820
In situ study of nanocrystal growth mechanism via oriented attachments Dongsheng Li Pacific Northwest National Laboratory (PNNL) BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0021864
Light Material Interactions Research Center: Atwater Group Harry Atwater California Institute of Technology BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0021880
Adsorption of Molecules, Clusters, and Layered Materials on Surfaces Hong Tang Temple University BES - Materials Sciences and Engineering 10,000 100 20 2 ERCAP0021897
SciDAC Partnership: Real-time dynamics of driven correlated electrons in quantum materials Vojtech Vlcek University of California Santa Barbara BES - Materials Sciences and Engineering 125,000 14,000 20 1 ERCAP0020089
Center for 3D Ferroelectric Microelectronics Andrew Rappe University of Pennsylvania BES - Materials Sciences and Engineering 20,000 1,000 20 1 ERCAP0019875
Actinide dynamics and electronic structure Roxanne Tutchton Los Alamos National Laboratory BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0021177
New Cooperative Adsorbents and Regeneration Methods for the Efficient Removal of Carbon Dioxide from Air Wibe (Bert) de Jong Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 10,000 1,000 20 1 ERCAP0021251
AI-Accelerated Discovery Science for Nanostructured Materials Samuel Blau Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 10,000 1,000 20 1 ERCAP0021839
First-Principles Study of Radiation Induced Stability and Ion Mobility in Complex Oxides Vancho Kocevski Los Alamos National Laboratory BES - Materials Sciences and Engineering 8,000 100 20 1 ERCAP0021191
Toward exascale computing of electron-phonon couplings for finite-temperature materials design Feliciano Giustino University of Texas at Austin BES - Materials Sciences and Engineering 125,000 25,000 170 1 ERCAP0020061
First principles investigation of materials for energy storage Gerbrand Ceder Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 4,000 250 20 1 ERCAP0020733
Computationally Driven Design and Synthesis for Electron Transfer Materials based on Nonnatural Polymers Marcel Baer Pacific Northwest National Laboratory (PNNL) BES - Materials Sciences and Engineering 20,000 100 20 1 ERCAP0021215
PRISMS: Integrated multiscale modeling of Mg structural alloys Vikram Gavini University of Michigan BES - Materials Sciences and Engineering 50,000 4,000 20 1 ERCAP0020572
High Throughput Computational Framework of Materials Properties Yi Wang Penn State University - University Park BES - Materials Sciences and Engineering 12,000 4,000 20 1 ERCAP0020398
Computational Studies Across Time and Length Scales of Multifunctional Ionic Polymers Membranes Dvora Perahia Clemson University BES - Materials Sciences and Engineering 38,000 20,000 20 1 ERCAP0020938
Mesoscale Defect Interaction and Evolution in Structural Materials Haixuan Xu University of Tennessee BES - Materials Sciences and Engineering 10,000 500 20 1 ERCAP0021287
Electronic Properties of Van der Waals Layered Materials Santosh KC San Jose State University BES - Materials Sciences and Engineering 1,250 100 20 4 ERCAP0021307
Machine learning the dynamics of lithium ion transport in solid electrolytes Rafael Gomez-Bombarelli Massachusetts Institute of Technology BES - Materials Sciences and Engineering 10,000 500 20 1 ERCAP0021172
Electronic structure and mechanical properties of complex materials. Wai-Yim Ching University of Missouri - Kansas City BES - Materials Sciences and Engineering 12,000 500 20 1 ERCAP0020819
Photonics at Thermodynamic Limits EFRC Joint Theory Allocation Request Prineha Narang Harvard University BES - Materials Sciences and Engineering 12,500 100 20 1 ERCAP0021483
Development and Application of First-Principles Embedding GW-BSE Formalisms for Molecule-Substrate Interfaces Zhenfei Liu Wayne State University BES - Materials Sciences and Engineering 2,500 500 20 38 ERCAP0020328
Nonlinear Pump-Probe Theory and Simulation Yao Wang Clemson University BES - Materials Sciences and Engineering 8,000 500 20 1 ERCAP0020159
Computation of Vibrational and Electronic Excitations in Materials Brent Fultz California Institute of Technology BES - Materials Sciences and Engineering 15,000 500 20 1 ERCAP0020085
Exploring Si heterojunction solar cell degradation: Bulk and interface processes analyzed by simulations and experiments in order to develop mitigation strategies Gergely Zimanyi University of California Davis BES - Materials Sciences and Engineering 12,000 100 20 1 ERCAP0021352
Center for Predictive Simulation of Functional Materials Panchapakesan Ganesh Oak Ridge National Laboratory BES - Materials Sciences and Engineering 45,000 5,000 22 9 ERCAP0021109
Molecular Magnetic Quantum Materials Hai-Ping Cheng University of Florida BES - Materials Sciences and Engineering 30,500 5,000 20 1 ERCAP0021000
Ab initio theory of unconventional superconductivity Mark van Schilfgaarde National Renewable Energy Laboratory BES - Materials Sciences and Engineering 60,000 20,000 20 1 ERCAP0021819
Excitations in Large Scale Duy Le University of Central Florida BES - Materials Sciences and Engineering 15,000 100 20 1 ERCAP0021378
Tailoring Photophysical Energy Transfer for Selective Separations of Critical Lanthanides Andrew Ferguson National Renewable Energy Laboratory BES - Materials Sciences and Engineering 2,000 100 20 1 ERCAP0021385
Excited state dynamics of halide perovskites and other spin-orbit coupled materials Liang Tan Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 20,000 5,000 20 1 ERCAP0020723
Center for Computational Study of Excited-State Phenomena in Energy Materials (C2SEPEM) Jack Deslippe Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 100,000 35,000 20 10 ERCAP0020333
FUTURE: Fundamental Understanding of Transport Under Reactor Extremes Blas Uberuaga Los Alamos National Laboratory BES - Materials Sciences and Engineering 50,000 40,000 20 1 ERCAP0020694
Computational Design of High-Performing V2O5 Electrodes for non-Li-ion Batteries Hartwin Peelaers University of Kansas BES - Materials Sciences and Engineering 4,000 100 20 1 ERCAP0021325
Ab-initio electrochemistry of novel anode materials for Li-based batteries: linking bulk and interface structures to electrochemical properties Lei Zhang Carnegie Mellon University BES - Materials Sciences and Engineering 2,500 100 50 1 ERCAP0020751
Damage-Tolerance in Structural Materials Mark Asta University of California Berkeley BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0021088
Thermodynamic Stability of Solid Solutions and High Entropy Alloys Michael Widom Carnegie Mellon University BES - Materials Sciences and Engineering 7,500 100 20 1 ERCAP0020433
Understanding and Design of Novel Materials for Energy Storage and Neuromorphic Computing from First-principles Calculations and Machine Learning Techniques Shyue Ping Ong University of California San Diego BES - Materials Sciences and Engineering 32,134 100 20 3 ERCAP0020416
First Principles Modeling of Batteries, Alloys, and Structural Materials Anton Van Der Ven University of California Santa Barbara BES - Materials Sciences and Engineering 35,375 100 20 8 ERCAP0020609
Stochastic techniques for optical excitation in nanostructures Eran Rabani Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 30,000 100 20 1 ERCAP0020394
Computation of Electronic Properties of Materials from First Principles Steven Louie University of California Berkeley BES - Materials Sciences and Engineering 60,000 100 20 597 ERCAP0020701
First-Principles, Phonon-based Energy Material Design Massoud Kaviany University of Michigan BES - Materials Sciences and Engineering 750 100 20 1 ERCAP0020240
Discovery of Materials for Energy Applications Christopher Wolverton Northwestern University BES - Materials Sciences and Engineering 40,000 100 20 1 ERCAP0020700
Photovoltaics with topological matter Benjamin Fregoso Kent State University BES - Materials Sciences and Engineering 1,250 100 20 18 ERCAP0020386
Establishing a roadmap to ambient temperature superconductivity Ashkan Salamat University of Nevada Las Vegas BES - Materials Sciences and Engineering 2,500 100 20 1 ERCAP0020374
Phase-field modeling of energy materials Katsuyo Thornton University of Michigan BES - Materials Sciences and Engineering 3,573 100 20 3 ERCAP0020697
Correlation Effects, Magnetism, and Spectroscopy of Complex Materials, including Nanosystems Arun Bansil Northeastern University BES - Materials Sciences and Engineering 6,000 100 20 1 ERCAP0020252
Computational Mesoscale Science and Open Software for Quantum Materials Yi Wang Penn State University - University Park BES - Materials Sciences and Engineering 5,000 2,870 20 1 ERCAP0020783
Nucleation of nanoparticle at solid/liquid interface Mal Soon Lee Pacific Northwest National Laboratory (PNNL) BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0020018
Machine Learning and Multi-Scale Simulations of Nanoscale Energy Conversion and Storage Jeffrey Grossman Massachusetts Institute of Technology BES - Materials Sciences and Engineering 10,000 100 20 4 ERCAP0019930
Computational Study of Electronic and Structural Properties and Doping of Nanostructures James Chelikowsky University of Texas at Austin BES - Materials Sciences and Engineering 8,000 100 20 9 ERCAP0020277
Many-body perturbation theory for the materials science community: extending the usability of the WEST code Marco Govoni Argonne National Laboratory BES - Materials Sciences and Engineering 1,000 10,000 20 1 ERCAP0021829
Photonic Materials Rana Biswas Ames Laboratory Iowa State University BES - Materials Sciences and Engineering 370 100 20 1 ERCAP0020651
High Performance Computation of Photon Spectroscopies and Electronic Excited States John Rehr University of Washington BES - Materials Sciences and Engineering 875 100 20 1 ERCAP0020013
Phase Stability in High-melting and Corrosion Resistant Borosilicides, Aluminides and Novel Ceramics Ridwan Sakidja Missouri State University BES - Materials Sciences and Engineering 9,056 3,000 20 1 ERCAP0021104
First-Principles Studies of Exciton-Related Phenomena in Novel Materials Felipe Jornada Stanford University BES - Materials Sciences and Engineering 20,000 3,000 20 2 ERCAP0021335
A new approach to the interacting phonon problem Chris Marianetti Columbia University BES - Materials Sciences and Engineering 30,000 100 20 1 ERCAP0020576
First principles thermal transport for basic energy sciences Lucas Lindsay Oak Ridge National Laboratory BES - Materials Sciences and Engineering 8,750 100 20 1 ERCAP0020284
Ultrafast magnetization in ferromagnets Guoping Zhang Indiana State University BES - Materials Sciences and Engineering 10,000 100 20 13 ERCAP0020289
EFRC: Center for Novel Pathways to Quantum Coherence in Materials Joel Moore Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 15,000 100 20 1 ERCAP0020316
First-Principles Anharmonic Lattice Dynamics Validated Against Experiments Olivier Delaire Duke University BES - Materials Sciences and Engineering 18,000 2,500 20 1 ERCAP0021149
Ultra Materials for a Resilient, Smart Electricity Grid Arunima Singh Arizona State University BES - Materials Sciences and Engineering 2,000 100 20 1 ERCAP0020504
Data-driven Discovery of Inorganic Electrides for Energy Applications Qiang Zhu University of Nevada Las Vegas BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0019966
Predictive modeling of moire heterostructures Michael Zaletel Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 20,000 100 20 1 ERCAP0020043
Ab intio electrochemistry of non-dilute bulk defects and surface properties of ionic solids Lei Zhang Carnegie Mellon University BES - Materials Sciences and Engineering 2,500 100 50 1 ERCAP0020426
Electronic and optical properties of lighting and power electronic materials from first-principles Emmanouil Kioupakis University of Michigan BES - Materials Sciences and Engineering 12,000 100 20 22 ERCAP0020127
Modeling of nonlinear XUV response at interfaces of PTO/STO supercrystals Michael Zuerch University of California Berkeley BES - Materials Sciences and Engineering 5,125 100 20 1 ERCAP0020138
Cluster and Nanostructure for Energy and Bio Applications Puru Jena Virginia Commonwealth University BES - Materials Sciences and Engineering 15,000 100 20 1 ERCAP0020729
Mining defect based solid state qubits from 3d and 2d materials Bharat Medasani Princeton Plasma Physics Laboratory (PPPL) BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0020424
The role of local chemical order on defect kinetics in alloys under irradiation Penghui Cao University of California Irvine BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0020064
Data-driven synthesis science Gerbrand Ceder Lawrence Berkeley National Laboratory BES - Materials Sciences and Engineering 4,000 2,670 20 1 ERCAP0020531
Numerical Simulations of Defects and Chemical Reactions at Surfaces and Interfaces Sergey Rashkeev University of Maryland BES - Materials Sciences and Engineering 2,500 100 20 1 ERCAP0020457
First-principles study of Hierarchical Waste Form Materials Theodore Besmann University of South Carolina BES - Materials Sciences and Engineering 11,250 100 20 1 ERCAP0019881
Optoelectronic properties of bent two-dimensional materials from first-principles methods combined with machine learning Adrienn Ruzsinszky Temple University BES - Materials Sciences and Engineering 15,000 100 20 1 ERCAP0020145
Simulation of Photon Spectroscopies for Correlated Electron Systems Thomas Devereaux SLAC National Accelerator Laboratory BES - Materials Sciences and Engineering 100,000 100 20 1 ERCAP0020458
Theory Institute for Materials and Energy Spectroscopies (TIMES) SRI CHAITANYA DAS Pemmaraju SLAC National Accelerator Laboratory BES - Materials Sciences and Engineering 27,500 100 20 1 ERCAP0020721
Large-Scale Many-Body Perturbation Theory Simulations of Optoelectronic Materials Sahar Sharifzadeh Boston University BES - Materials Sciences and Engineering 25,000 100 20 166 ERCAP0020722
Atomic Dynamics in Metallic and Other Liquids and Glasses Evangelia Zarkadoula Oak Ridge National Laboratory BES - Materials Sciences and Engineering 2,100 100 20 1 ERCAP0020503
First-principles investigations into the synthesis and design of functional materials Wenhao Sun University of Michigan BES - Materials Sciences and Engineering 10,000 100 20 1 ERCAP0020148
Cluster Expansions of FeNiMnAlCr High Entropy Alloy Geoffroy Hautier Dartmouth College BES - Materials Sciences and Engineering 30,000 100 20 1 ERCAP0020714
Mechanical behavior of alloys Evangelia Zarkadoula Oak Ridge National Laboratory BES - Materials Sciences and Engineering 1,250 100 20 3 ERCAP0020490
Electronic Structure and Excited State Dynamics in Nanomaterials and Heterostructures Jian-Xin Zhu Los Alamos National Laboratory BES - Materials Sciences and Engineering 25,000 100 20 1 ERCAP0020494
Structure and spectroscopy simulations Sokrates Pantelides Vanderbilt University BES - Materials Sciences and Engineering 14,000 100 20 1 ERCAP0020419
Structure and energetics of reactions at of surface and grain boundary and thermodynamic stability of energy materials Jianwei Wang Louisiana State University BES - Materials Sciences and Engineering 15,000 100 20 22 ERCAP0020500
Quantum Chemical Study of Area-Selective Atomic Layer Deposition Robert A. DiStasio Jr. Cornell University BES - Materials Sciences and Engineering 5,000 100 20 1 ERCAP0020178
Electric field oxidation of nanoscale oxides Subramanian Sankaranarayanan Argonne National Laboratory BES - Scientific User Facilities 50,000 100 20 1 ERCAP0021078
Data Solution Task Force Pilot Alex Hexemer Lawrence Berkeley National Laboratory - Advanced Light Source (ALS) BES - Scientific User Facilities 5,000 5,000 50 1 ERCAP0020578
Development of Software Framework for X-ray Optics Simulation and Modeling Oleg Chubar Brookhaven National Lab BES - Scientific User Facilities 12,500 300 20 3 ERCAP0021821
Simulated X-ray Spectroscopy David Prendergast Lawrence Berkeley National Laboratory BES - Scientific User Facilities 12,000 100 20 26 ERCAP0021297
A Digital Twin for Spatiotemporal experiments Subramanian Sankaranarayanan Argonne National Laboratory BES - Scientific User Facilities 50,000 100 22 1 ERCAP0021059
Transforming X-ray Science Toward Data-Centrism Amedeo Perazzo SLAC National Accelerator Laboratory BES - Scientific User Facilities 3,000 500 1,193 13,130 ERCAP0021720
Understanding and improving energy materials via first principles modeling, AI/ML, and characterization Maria Chan Argonne National Laboratory BES - Scientific User Facilities 32,000 100 20 1 ERCAP0021108
Simulating core-level spectroscopy of energy-relevant materials David Prendergast Lawrence Berkeley National Laboratory BES - Scientific User Facilities 50,000 100 20 20 ERCAP0021326
Computational Resources for the Interpretation of Neutron Scattering Data from SNS and HFIR Thomas Proffen Oak Ridge National Laboratory BES - Scientific User Facilities 30,000 100 20 1 ERCAP0021144
First Principles x-ray spectroscopy calculations for supporting catalysis and energy related science Dimosthenis Sokaras SLAC National Accelerator Laboratory BES - Scientific User Facilities 25,000 100 20 1 ERCAP0021175
Computational Resources to support the NSLS-II's Area of Excellence in Artificial Intelligence and Machine Learning developments. Stuart Campbell Brookhaven National Lab BES - Scientific User Facilities 12,500 5,000 500 1 ERCAP0020888
Second Order X-ray Spectra from First Principles Calculations Richard Saykally University of California Berkeley BES - Scientific User Facilities 7,500 100 20 7 ERCAP0020303
Structure-property relationship of polymer-fiber composite materials using large-scale simulations and neutron scattering. Monojoy Goswami Oak Ridge National Laboratory BES - Scientific User Facilities 7,500 2,000 20 1 ERCAP0021122
Parallel Computation for Laser Plasma Interactions at Relativistic Intensities Karoly Nemeth Illinois Institute of Technology BES - Scientific User Facilities 100 100 20 39 ERCAP0021461
Optimization and Machine Learning Techniques for Design of a High Efficient Free-Electron Laser Christopher Hall RadiaSoft LLC BES - Scientific User Facilities 1,875 100 20 1 ERCAP0021816
High Performance Computing for the Second Target Station Jiao Lin Oak Ridge National Laboratory BES - Scientific User Facilities 25,000 100 20 1 ERCAP0020209
Advanced Light Source Alex Hexemer Lawrence Berkeley National Laboratory - Advanced Light Source (ALS) BES - Scientific User Facilities 5,000 90,000 796 5,460 ERCAP0020564
National Center for Electron Microscopy Hub Colin Ophus Lawrence Berkeley National Laboratory BES - Scientific User Facilities 500 100 26 172 ERCAP0020897
4D Camera Distillery Andrew Minor Lawrence Berkeley National Laboratory BES - Scientific User Facilities 5,000 100 27 1 ERCAP0020898
Computational Resources for the Interpretation of data collected at the NSLS-II Stuart Campbell Brookhaven National Lab BES - Scientific User Facilities 5,000 1,000 500 1 ERCAP0020495
Molecular Foundry Theory Facility Reinforcement Learning project Stephen Whitelam Lawrence Berkeley National Laboratory BES - Scientific User Facilities 2,500 100 20 10 ERCAP0021778
Frontiers in Accelerator Design: Advanced Modeling for Next-Generation BES Accelerators Robert Ryne Lawrence Berkeley National Laboratory BES - Scientific User Facilities 100,000 100 44 7 ERCAP0020725
First principles modelling of nanomaterials: Method development and applications Deyu Lu Brookhaven National Lab BES - Scientific User Facilities 50,000 100 20 3 ERCAP0020690
A Collaborative Machine Learning Platform for Scientific Discovery Alex Hexemer Lawrence Berkeley National Laboratory - Advanced Light Source (ALS) BES - Scientific User Facilities 2,500 1,000 20 1 ERCAP0020597
NIMROD Project: Extended Magnetohydrodynamic Modeling for Fusion Experiments Jacob King Tech-X Corporation FES - Fusion Energy Sciences 25,000 1,000 20 17 ERCAP0021409
3D Extended MHD simulation of fusion plasmas Stephen Jardin Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 75,000 7,000 20 157 ERCAP0020286
Plasma Confinement, Stability, Heating and Optimization in Stellarators and Tokamaks Don Spong Oak Ridge National Laboratory FES - Fusion Energy Sciences 3,000 400 20 1 ERCAP0020829
Two-Laser Proton Acceleration Scott Feister California State University Channel Islands (CSUCI) FES - Fusion Energy Sciences 11,925 100 20 1 ERCAP0021282
Billion-atom simulations of inertial confinement fusion materials Ivan Oleynik University of South Florida FES - Fusion Energy Sciences 100 22,000 100 1 ERCAP0021865
AToM-2 SciDAC - Advanced Tokamak Modeling Environment Jin Myung Park Oak Ridge National Laboratory FES - Fusion Energy Sciences 95,000 13,000 20 36 ERCAP0020397
Fluid and Hybrid Modeling of Electromagnetic Activity in MFE Plasmas Carl Sovinec University of Wisconsin - Madison FES - Fusion Energy Sciences 15,000 100 20 17 ERCAP0020418
Unveiling the Interplay Between Magnetic Reconnection and Turbulence Luca Comisso Columbia University FES - Fusion Energy Sciences 65,000 100 20 1 ERCAP0021815
ARPA-E BETHE kinetic modeling Bhuvana Srinivasan Virginia Polytechnic Institute and State University FES - Fusion Energy Sciences 6,250 100 20 1 ERCAP0021692
MHD Simulations of the CTH Experiment James Hanson Auburn University FES - Fusion Energy Sciences 3,000 100 20 1 ERCAP0020058
LLNL MFE Supercomputing Maxim Umansky Lawrence Livermore National Laboratory FES - Fusion Energy Sciences 125,000 20,000 20 26 ERCAP0020926
Predicting steady state scenarios in negative triangularity plasmas Alessandro Marinoni Massachusetts Institute of Technology FES - Fusion Energy Sciences 30,000 100 20 1 ERCAP0021258
Lithium-Divertor Interactions and Helium Trapping in Tungsten Karl Hammond University of Missouri - Columbia FES - Fusion Energy Sciences 25,000 100 20 1 ERCAP0021826
Magnetic Reconnection, Instabilities, and Turbulence in Laboratory and Space Plasmas Amitava Bhattacharjee Princeton University FES - Fusion Energy Sciences 40,000 15,000 20 205 ERCAP0021304
Computational studies in plasma physics and fusion energy Abhay Ram Massachusetts Institute of Technology FES - Fusion Energy Sciences 117,250 100 20 26 ERCAP0020063
Radiatively Cooled Magnetic Reconnection on Z Jack Hare Massachusetts Institute of Technology FES - Fusion Energy Sciences 30,000 100 60 1 ERCAP0020093
Experimental Tests of Gyrokinetic Simulations of Microturbulence Walter Guttenfelder Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 40,000 4,000 20 10 ERCAP0020404
ORNL SciDAC Simulation Center for Runaway Electrons Avoidance and Mitigation, Beidler ECA, and ORNL hybrid kinetic-fluid modeling Matthew Beidler Oak Ridge National Laboratory FES - Fusion Energy Sciences 10,000 100 20 1 ERCAP0020126
Non-thermal Particle Acceleration in Astrophysical Magnetic Reconnection Fan Guo Los Alamos National Laboratory FES - Fusion Energy Sciences 60,000 100 20 114 ERCAP0021239
First-principles calculations of optical properties of middle-Z elements including the x-ray range Valentin Karasev University of Rochester FES - Fusion Energy Sciences 20,000 100 20 1 ERCAP0021234
Kinetic simulation of plasma microturbulence, kinetic MHD phenomena and magnetic reconnection proces Yang Chen University of Colorado at Boulder FES - Fusion Energy Sciences 20,000 15,000 20 85 ERCAP0020583
Plasma Driver Technology Demonstration for Economical Fusion Power Plants Derek Sutherland CTFusion, Inc. FES - Fusion Energy Sciences 5,000 100 20 1 ERCAP0021680
FLASH Simulations for the ARPA-E BETHE Program for Innovative Fusion Energy Technologies and Laser-driven Laboratory Astrophysics Edward Hansen University of Rochester FES - Fusion Energy Sciences 25,000 100 20 1 ERCAP0021315
Comparing Thermal and Plasma Catalysis of CO2 Reduction by Modeling Surface Charge Effects Bryan Goldsmith University of Michigan FES - Fusion Energy Sciences 1,000 100 20 1 ERCAP0021311
Locking to an error field in the presence of real tearing frequencies due to finite pressure Cihan Akcay Tibbar Plasma Technologies FES - Fusion Energy Sciences 2,000 100 20 60 ERCAP0020310
Modeling of radio-frequency waves in hot Tokamak plasmas Jin-Soo Kim FAR-TECH Inc. FES - Fusion Energy Sciences 10,000 5,000 20 1 ERCAP0020151
Tokamak Disruption Simulation Xianzhu Tang Los Alamos National Laboratory FES - Fusion Energy Sciences 80,000 18,000 20 17 ERCAP0021219
Wave excitation and nongyrotropic particle kinetics during magnetic reconnection Naoki Bessho University of Maryland FES - Fusion Energy Sciences 10,000 100 20 1 ERCAP0021477
Wisconsin Plasma Physics Laboratory Karsten McCollam University of Wisconsin - Madison FES - Fusion Energy Sciences 3,750 100 20 1 ERCAP0021404
3D Modelling of the Plasma Edge and Impurity Transport in Fusion Devices Marcos Navarro University of Wisconsin - Madison FES - Fusion Energy Sciences 100,000 100 20 1 ERCAP0020290
Stability and Turbulent Transport of Field-Reversed Configuration (FRC) Plasmas Calvin Lau TAE Technologies FES - Fusion Energy Sciences 25,000 100 20 1 ERCAP0020326
Kinetic Physics of Magnetic Reconnection and Turbulence Michael Shay University of Delaware FES - Fusion Energy Sciences 5,000 100 20 17 ERCAP0021519
Ultrahigh intensity diagnostics for LaserNet US facilities Enam Chowdhury Ohio State University FES - Fusion Energy Sciences 2,500 100 20 1 ERCAP0021522
EFIT-AI: Equilibrium reconstruction for fusion plasmas Scott Kruger Tech-X Corporation FES - Fusion Energy Sciences 110,000 20,000 20 1 ERCAP0021662
Particle-in-cell simulations of beam-driven field-reversed configuration plasmas Jaeyoung Park TAE Technologies FES - Fusion Energy Sciences 550 100 20 1 ERCAP0020361
Particle-in-Cell Simulations of Laser Plasma Interactions Relevant to Inertial Fusion Energy Frank Tsung University of California Los Angeles (UCLA) FES - Fusion Energy Sciences 80,000 20,000 20 64 ERCAP0021516
Analysis for the SPARC magnetic fusion experiment John Wright Massachusetts Institute of Technology FES - Fusion Energy Sciences 37,500 100 20 9 ERCAP0021523
Zap Energy Inc. Eric Meier Zap Energy Inc. FES - Fusion Energy Sciences 75,000 5,000 50 1 ERCAP0021228
FusMatML: Machine Learning Atomistic Modeling for Fusion Materials David Montes de Oca Zapiain Sandia National Laboratories - New Mexico FES - Fusion Energy Sciences 1,000 6,500 20 1 ERCAP0021576
Turbulence, Transport and Magnetic Reconnection in High Temperature Plasma William Dorland University of Maryland FES - Fusion Energy Sciences 75,000 1,000 20 1,028 ERCAP0020941
Multiscale coupled fluid-kinetic models of plasmas Giovanni Lapenta Space Science Institute FES - Fusion Energy Sciences 5,000 5,000 50 1 ERCAP0021567
Simulation Studies of NSTX-U and Compact Toroid Stability Elena Belova Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 1,000 100 20 12 ERCAP0021355
Ab initio simulations of warm dense matter Burkhard Militzer University of California Berkeley FES - Fusion Energy Sciences 40,000 100 20 1 ERCAP0021606
Kinetic Simulations of Broadband-Driven Laser Plasma Interactions Han Wen University of Rochester FES - Fusion Energy Sciences 80,000 100 20 1 ERCAP0021346
Simulation of laser-plasma interactions. Axel Huebl Lawrence Berkeley National Laboratory FES - Fusion Energy Sciences 100 20,000 28 15 ERCAP0021193
Algorithms and frameworks leveraging new CPU/GPU computer architectures to support whole-device modelling for plasma applications, including micro-electronics, electric propulsions, and plasma processing Igor Kaganovich Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 30,000 20,000 20 1 ERCAP0021158
Probing the physics of magnetic reconnection: from fusion energy to space plasmas Adam Stanier Los Alamos National Laboratory FES - Fusion Energy Sciences 10,000 100 20 192 ERCAP0021322
Unitary Quantum Lattice Algorithms for Maxwell Equations in Media George Vahala College of William & Mary FES - Fusion Energy Sciences 45,000 100 40 38 ERCAP0020430
Laser-plasma interaction in the relativistic transparency regime Kathleen Weichman U. Rochester - Laboratory for Laser Energetics FES - Fusion Energy Sciences 20,000 100 20 1 ERCAP0021627
Center for Integrated Simulation of Fusion Relevant RF Actuators: SciDAC Project David Green Oak Ridge National Laboratory FES - Fusion Energy Sciences 65,000 100 20 31 ERCAP0020035
3D Kinetic Simulations of Nonthermal Particle Acceleration in Flaring Magnetic Reconnection Fan Guo Los Alamos National Laboratory FES - Fusion Energy Sciences 45,000 100 20 108 ERCAP0021460
Application of Kinetic Closures in NIMROD for Fusion Plasma Simulations Eric Held Utah State University FES - Fusion Energy Sciences 7,500 100 20 1 ERCAP0020752
Plasma Edge Simulation Laboratory Emily Belli General Atomics FES - Fusion Energy Sciences 10,000 10,000 21 1 ERCAP0019895
Measurement, modeling, and control of magnetic fluctuations in DIII-D plasmas Karsten McCollam University of Wisconsin - Madison FES - Fusion Energy Sciences 5,000 100 20 1 ERCAP0021156
Fusion Energy Reactor Models Integrator (FERMI) Peter Huang HyPerComp Inc. FES - Fusion Energy Sciences 12,500 100 20 1 ERCAP0020611
High energy density kinetic plasma physics Chuang Ren University of Rochester FES - Fusion Energy Sciences 100 100 20 43 ERCAP0020507
The Plasma Science and Innovation Center Chris Hansen University of Washington FES - Fusion Energy Sciences 250 100 20 1 ERCAP0020508
Helicity Injected Torus Current Drive and Compact Toroid Studies Chris Hansen University of Washington FES - Fusion Energy Sciences 2,500 100 20 7 ERCAP0020527
Non-Linear Physics of the Interaction Between a Relativistic Electron Beam and Magnetized Plasma Vadim Roytershteyn Space Science Institute FES - Fusion Energy Sciences 37,500 100 93 498 ERCAP0021120
Compressibility and Magnetic Effects on Instabilities and Turbulence in HEDP Flows Hussein Aluie University of Rochester FES - Fusion Energy Sciences 50,000 100 20 61 ERCAP0021118
Magnetic Reconnection in Laboratory and Space Relevant Plasmas Paul Cassak West Virginia University FES - Fusion Energy Sciences 22,500 100 20 83 ERCAP0020707
Accelerating radio frequency modeling using machine learning Edward (Wes) Bethel Lawrence Berkeley National Laboratory FES - Fusion Energy Sciences 750 200 20 1 ERCAP0020955
High performance computing in support of the DIII-D National Fusion Facility Sterling Smith General Atomics FES - Fusion Energy Sciences 117,250 20,000 20 1 ERCAP0020598
Design and Assessments of Liquid Metal Systems for a Fusion Power Reactor Sergey Smolentsev University of California Los Angeles (UCLA) FES - Fusion Energy Sciences 12,500 100 20 1 ERCAP0020850
Simulation of Magnetically Confined Fusion Plasmas Gary Staebler General Atomics FES - Fusion Energy Sciences 20,000 10,000 20 39 ERCAP0020454
An Extensible HED Modeling Tool for Extreme Regimes Alice Koniges Lawrence Berkeley National Laboratory - NERSC FES - Fusion Energy Sciences 5,000 100 20 1 ERCAP0020882
Development and Testing of Reduced Models of the Edge Radial Electric Field Timothy Stoltzfus-Dueck Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 30,000 10,000 20 5 ERCAP0020009
Partnership Center for High-fidelity Boundary Plasma Simulation: SciDAC-4 Center Choongseok Chang Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 125,000 22,000 25 361 ERCAP0020931
Advanced Stellarators Benjamin Faber University of Wisconsin - Madison FES - Fusion Energy Sciences 100,000 10,000 20 1 ERCAP0020071
Equilibrium, Stability, and Transport Studies of Three-Dimensional Confinement Devices Andrew Ware University of Montana FES - Fusion Energy Sciences 500 100 20 1 ERCAP0020978
ARPA-E BETHE RF John Wright Massachusetts Institute of Technology FES - Fusion Energy Sciences 800 100 20 1 ERCAP0021170
Gyrokinetic Studies of Non-Diffusive Transport Jean-Noel Leboeuf University of Alaska Fairbanks FES - Fusion Energy Sciences 10,000 100 20 1 ERCAP0019813
Disruption and disruption mitigation simulations Charlson Kim General Atomics FES - Fusion Energy Sciences 125,000 22,000 20 18 ERCAP0020408
Computational Atomic and Molecular Physics for Fusion Energy Sciences Michael Pindzola Auburn University FES - Fusion Energy Sciences 12,500 100 20 27 ERCAP0019755
Advanced Simulations of Helicon Antennae and Sources David Smithe Tech-X Corporation FES - Fusion Energy Sciences 7,500 100 20 1 ERCAP0020743
Edge, SOL and Divertor Modeling James Myra Lodestar Research Corporation FES - Fusion Energy Sciences 100 100 20 1 ERCAP0019872
Turbulent Transport and Multiscale Gyrokinetic Simulation Weixing Wang Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 100,000 12,000 20 185 ERCAP0021012
Quantal Breakup Problem Michael Pindzola Auburn University FES - Fusion Energy Sciences 25,000 100 20 1 ERCAP0019758
AI/ML for Tokamak Divertor-Plasma Detachment Control Xueqiao Xu Lawrence Livermore National Laboratory FES - Fusion Energy Sciences 5,000 20,000 20 1 ERCAP0020889
Particle Acceleration and Transport in Solar Flares Xiaocan Li Dartmouth College FES - Fusion Energy Sciences 25,000 100 20 1 ERCAP0020601
Simulation of nonresonant stellarator divertor Alkesh Punjabi Hampton University FES - Fusion Energy Sciences 25,000 100 20 1 ERCAP0019892
Molecular dynamics simulations of plasma material interactions for fusion applications and plasma Igor Kaganovich Princeton Plasma Physics Laboratory (PPPL) FES - Fusion Energy Sciences 20,000 100 20 1 ERCAP0021171
Validation of simulation models for wall-connected scrape off layer currents during MHD activity in the HBT-EP tokamak Chris Hansen University of Washington FES - Fusion Energy Sciences 1,250 100 20 1 ERCAP0020540
Three-Dimensional Stability of Kinetic Flux Rope Structures in a Collisionless Magnetized Plasma Chung-Sang Ng University of Alaska Fairbanks FES - Fusion Energy Sciences 15,000 100 20 1 ERCAP0021081
Predictive simulations and scientific machine learning for steady-state power exhaust and disruption mitigation Xianzhu Tang Los Alamos National Laboratory FES - Fusion Energy Sciences 20,000 10,000 35 9 ERCAP0021225
PSI SciDAC: Predicting the Performance and Impact of Dynamic PFC Surfaces Brian Wirth University of Tennessee FES - Fusion Energy Sciences 117,250 22,091 20 1 ERCAP0020518
Gyrokinetic turbulence and transport: From basic understanding to truly predictive capability David Hatch University of Texas at Austin FES - Fusion Energy Sciences 117,250 20,000 25 263 ERCAP0020732
Magnetic Fusion Plasma Microturbulence Project Maxim Umansky Lawrence Livermore National Laboratory FES - Fusion Energy Sciences 57,500 12,500 20 1 ERCAP0020919
Particle Energization in Low-Beta Magnetic Reconnection and Its Parameter Dependence Qile Zhang Los Alamos National Laboratory FES - Fusion Energy Sciences 45,000 100 20 1 ERCAP0020516
SciDAC ISEP: Integrated Simulation of Energetic Particle Turbulence and Transport Zhihong Lin University of California Irvine FES - Fusion Energy Sciences 110,000 20,000 20 20 ERCAP0020892
Computational study of Magnetic Reconnection in both the relativistic and non-relativistic regimes Yi-Hsin Liu Dartmouth College FES - Fusion Energy Sciences 21,000 100 20 668 ERCAP0020708
Cosmological Hydrodynamic Simulations with CRK-HACC Salman Habib Argonne National Laboratory HEP - High Energy Physics 2,000 50,000 50 1 ERCAP0021173
parallel simulation of high intensity beam accelerators Ji Qiang Lawrence Berkeley National Laboratory HEP - High Energy Physics 1,250 10,000 20 1 ERCAP0020237
Constraining dark energy with structure formation Martin White University of California Berkeley HEP - High Energy Physics 1,000 100 20 1 ERCAP0020016
Theoretical Particle Physics Simulations for LHC Processes Christian Bauer Lawrence Berkeley National Laboratory HEP - High Energy Physics 11,250 100 21 44 ERCAP0021213
Simulation of laser-plasma particle accelerators Carlo Benedetti Lawrence Berkeley National Laboratory HEP - High Energy Physics 60,000 15,000 20 28 ERCAP0019790
Critical Behavior of Lattice Models Yannick Meurice University of Iowa HEP - High Energy Physics 2,000 100 20 1 ERCAP0020659
SciDAC-4: HEP Data Analytics on HPC Jim Kowalkowski Fermi National Accelerator Laboratory HEP - High Energy Physics 5,000 100 30 1 ERCAP0021537
Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Saul Perlmutter Lawrence Berkeley National Laboratory HEP - High Energy Physics 1,000 1,000 20 2 ERCAP0021270
Large-Scale Structure of the Universe Zarija Lukic Lawrence Berkeley National Laboratory HEP - High Energy Physics 4,000 6,000 20 109 ERCAP0021329
T2K and T2K-NOvA oscillation analysis Callum Wilkinson Lawrence Berkeley National Laboratory HEP - High Energy Physics 100 16,000 20 1 ERCAP0020376
Dark Energy Spectroscopic Instrument Stephen Bailey Lawrence Berkeley National Laboratory HEP - High Energy Physics 200,000 10,000 2,777 5,790 ERCAP0020828
The Nearby Supernova Factory Greg Aldering Lawrence Berkeley National Laboratory HEP - High Energy Physics 100 100 47 667 ERCAP0020996
LZ - LUX ZEPLIN Maria Elena Monzani SLAC National Accelerator Laboratory HEP - High Energy Physics 100,000 10,000 2,217 415 ERCAP0020866
Physics of charm and bottom baryons in lattice QCD Stefan Meinel University of Arizona HEP - High Energy Physics 90,510 12,500 20 1,810 ERCAP0020221
Dark Energy Survey Joe Zuntz University of Edinburgh HEP - High Energy Physics 117,500 15,000 91 55 ERCAP0019920
Synthetic Spectra of Astrophysical Objects Edward Baron University of Oklahoma HEP - High Energy Physics 500 1,000 20 1 ERCAP0019876
Daya Bay Reactor Neutrino Experiment Kam-Biu Luk Lawrence Berkeley National Laboratory HEP - High Energy Physics 6,350 100 2,703 1,754 ERCAP0020927
SciDAC-4: Inference at Extreme Scales Salman Habib Argonne National Laboratory HEP - High Energy Physics 5,000 9,000 124 10 ERCAP0021074
LSST Dark Energy Science Collaboration (DESC) Image Simulations Seth Digel SLAC National Accelerator Laboratory HEP - High Energy Physics 13,000 14,000 3,767 2,070 ERCAP0020008
Higher-order calculations for precision collider phenomenology Tobias Neumann Brookhaven National Lab HEP - High Energy Physics 10,000 100 20 1 ERCAP0021890
HEP Stewardship of Accelerator Modeling Cho-Kuen Ng SLAC National Accelerator Laboratory HEP - High Energy Physics 5,000 100 20 2 ERCAP0019879
Simulation of beam matching density ramp in a plasma wakefield accelerator Michael Litos University of Colorado at Boulder HEP - High Energy Physics 2,250 100 90 1 ERCAP0021840
Detector Simulation of the ATLAS Detector on NERSC HPCs Paolo Calafiura Lawrence Berkeley National Laboratory HEP - High Energy Physics 500,000 10,950 20 1 ERCAP0020499
Quantum senosrs consortium material calculations Maurice Garcia-Sciveres Lawrence Berkeley National Laboratory HEP - High Energy Physics 18,904 100 20 1 ERCAP0021808
Data Analysis for VHE Gamma-Rays Glenn Sembroski Purdue University HEP - High Energy Physics 5,000 100 60 1,352 ERCAP0020053
Modern Map Methods in Particle Beam Physics Kyoko Makino Michigan State University HEP - High Energy Physics 10,000 100 20 4 ERCAP0020199
Enabling HEP Intensity Frontier Science through HEPCloud Andrew Norman Fermi National Accelerator Laboratory HEP - High Energy Physics 150,000 15,000 20 1 ERCAP0020631
Continuing studies of plasma based accelerators Frank Tsung University of California Los Angeles (UCLA) HEP - High Energy Physics 200,000 15,000 20 45 ERCAP0020385
MultiDimensional Simulations of White Dwarf Explosions as Type Ia Supernovae Abigail Polin Observatories of the Carnegie Institute HEP - High Energy Physics 17,000 15,000 20 1 ERCAP0020272
The anomalous magnetic moment of the muon Aida El-Khadra University of Illinois at Urbana-Champaign HEP - High Energy Physics 125,000 15,000 50 1 ERCAP0020171
A Machine Learning Analysis Framework for Enabling Hydrogen Cosmology Constraints on Fundamental Physics Nicholas Kern Massachusetts Institute of Technology HEP - High Energy Physics 1,900 7,000 20 1 ERCAP0019830
Extreme Universe Space Observatory Eleanor Judd University of California Berkeley HEP - High Energy Physics 1,000 1,000 20 1 ERCAP0019820
Thermal state preparation via wormhole-inspired interactions Norman Yao University of California Berkeley HEP - High Energy Physics 7,500 2,500 20 1 ERCAP0021084
High-gradient acceleration of electrons in plasma and dielectric structures James Rosenzweig University of California Los Angeles (UCLA) HEP - High Energy Physics 30,000 2,500 20 43 ERCAP0020719
Machine Learning for Classification, Regression, Generation, and Anomaly Detection in Jet Physics Benjamin Nachman Lawrence Berkeley National Laboratory HEP - High Energy Physics 5,000 10,000 20 1 ERCAP0021099
Particle Dark Matter Across Scales Benjamin Safdi University of Michigan HEP - High Energy Physics 50,000 15,000 20 1 ERCAP0020070
Using FACET-II and ATF lepton beams in plasma-based acceleration: ionization injection of collider-q Navid Vafaei-Najafabadi Stony Brook University HEP - High Energy Physics 17,500 15,000 20 1 ERCAP0020049
Lattice Gauge Theory Simulations Donald Sinclair Argonne National Laboratory HEP - High Energy Physics 50,000 100 20 75 ERCAP0020037
Particle Physics with CMS at the LHC Oliver Gutsche Fermi National Accelerator Laboratory HEP - High Energy Physics 500,000 50,000 20 1 ERCAP0019970
Lattice QCD search for physics beyond the standard model Rajan Gupta Los Alamos National Laboratory HEP - High Energy Physics 600,000 50,000 92 582 ERCAP0020086
Simplifying the Sky: Mitigating Baryonic Effects in Cosmological Weak Lensing Measurements Nickolay Gnedin Fermi National Accelerator Laboratory HEP - High Energy Physics 125 100 20 190 ERCAP0020270
DECaLS & the Zwicky Transient Facility Peter Nugent Lawrence Berkeley National Laboratory HEP - High Energy Physics 2,500 1,000 183 1,262 ERCAP0021824
Precision flavor physics projects at LBNL Yury Kolomensky University of California Berkeley HEP - High Energy Physics 250 100 20 1 ERCAP0021482
Analysis and Serving of Data from Large-Scale Cosmological Simulations Salman Habib Argonne National Laboratory HEP - High Energy Physics 5,000 500 364 7 ERCAP0020988
Modeling the interaction between electrons and undulator/wiggler using particle-in-cell codes Xinlu Xu SLAC National Accelerator Laboratory HEP - High Energy Physics 150,000 100 20 1 ERCAP0020447
Particle Data Group Piotr Zyla Lawrence Berkeley National Laboratory HEP - High Energy Physics 0 100 20 429 ERCAP0020352
Nucleon Axial Charge with All-Staggered Lattice QCD Andreas Kronfeld Fermi National Accelerator Laboratory HEP - High Energy Physics 100,000 100 20 1 ERCAP0020553
HyperCP (FNAL E871) Piotr Zyla Lawrence Berkeley National Laboratory HEP - High Energy Physics 0 100 20 75 ERCAP0020353
Cosmology Data Repository Stephen Bailey Lawrence Berkeley National Laboratory HEP - High Energy Physics 500 100 2,514 1,301 ERCAP0021048
Berkeley High Resolution Neutral Hydrogen Sky Survey Dan Werthimer University of California Berkeley HEP - High Energy Physics 100 100 20 2,344 ERCAP0021367
DUNE - Deep Underground Neutrino Experiment Dan Dwyer Lawrence Berkeley National Laboratory HEP - High Energy Physics 32,500 30,000 86 1 ERCAP0019995
The Dark Energy Survey Supernova Search Masao Sako University of Pennsylvania HEP - High Energy Physics 5,000 5,000 38 147 ERCAP0021707
Advanced Modeling for Particle Accelerators Cho-Kuen Ng SLAC National Accelerator Laboratory HEP - High Energy Physics 2,500 100 20 2 ERCAP0020443
Galaxy Formation Simulations Steven Ritz University of California Santa Cruz HEP - High Energy Physics 10,000 100 20 185 ERCAP0020363
Assembling Galaxies of Resolved Anatomy (AGORA) Database Tom Abel SLAC National Accelerator Laboratory HEP - High Energy Physics 750 100 41 133 ERCAP0020364
Particle Acceleration by Ultra-Intense Lasers Daniel Gordon Naval Research Lab HEP - High Energy Physics 1,500 400 20 1 ERCAP0021271
Simulation and analysis of ATLAS Physics Zachary Marshall Lawrence Berkeley National Laboratory HEP - High Energy Physics 6,250 500 671 14 ERCAP0021415
COHERENT Experiment Robert Jason Newby Oak Ridge National Laboratory HEP - High Energy Physics 100 100 20 112 ERCAP0021114
Cosmic Microwave Background Data Analysis Julian Borrill Lawrence Berkeley National Laboratory HEP - High Energy Physics 200,000 10,000 785 6,936 ERCAP0021264
ECRP Space Charge Mitigation in Intense Beams Chad Mitchell Lawrence Berkeley National Laboratory HEP - High Energy Physics 12,500 100 20 1 ERCAP0020744
LOSS: Lick Observatory Supernova Search Thomas Brink University of California Berkeley HEP - High Energy Physics 100 100 20 8 ERCAP0021323
Nyx: A Next Generation Computational Cosmology Simulator Zarija Lukic Lawrence Berkeley National Laboratory HEP - High Energy Physics 2,500 24,000 35 1 ERCAP0021332
Optical Field Ionization of Target Plasmas John Cary University of Colorado at Boulder HEP - High Energy Physics 1,650 400 20 1 ERCAP0021780
Simulation of Fermilab's Muon based experiments: Muon g-2 and Mu2e Diktys Stratakis Fermi National Accelerator Laboratory HEP - High Energy Physics 375 100 20 1 ERCAP0021240
HepSim Monte Carlo simulations for particle experiments Sergei Chekanov Argonne National Laboratory HEP - High Energy Physics 100 100 20 1 ERCAP0021182
Machine Learning for HEP Tracking at Extreme Scales Xiangyang Ju Lawrence Berkeley National Laboratory HEP - High Energy Physics 2,500 100 20 1 ERCAP0021226
DESI Imaging Legacy Survey David Schlegel Lawrence Berkeley National Laboratory HEP - High Energy Physics 70,000 100 60 1 ERCAP0020315
Community Project for Accelerator Science and Simulations 4 James Amundson Fermi National Accelerator Laboratory HEP - High Energy Physics 22,912 100 20 1 ERCAP0021406
Cosmological Simulations for Sky Surveys Risa Wechsler Stanford University HEP - High Energy Physics 12,750 100 43 1,361 ERCAP0021223
nbodykit: Interactive Massively Parallel Data-intensive analysis Software for Cosmology Yu Feng University of California Berkeley HEP - High Energy Physics 500 100 20 1 ERCAP0020330
Study of nonlinear beam dynamics from coherent synchrotron radiation using a novel simulation framework Cheng Kun Huang Los Alamos National Laboratory HEP - High Energy Physics 5,506 4,000 20 1 ERCAP0020677
AMS Experiment MC Simulations Samuel Ting Massachusetts Institute of Technology HEP - High Energy Physics 50,000 100 20 1 ERCAP0020509
Beam Dynamics and Collective effects in proton and electron-positron storage rings Robert Holtzapple California Polytechnic State University, San Luis Obispo HEP - High Energy Physics 3,750 100 20 1 ERCAP0020337
Cosmological Impacts of the First Stars and Supernovae Ke-Jung (Ken) Chen Academia Sinica Taiwan NP - Nuclear Physics 4,800 100 20 1 ERCAP0020384
Many-Body Studies of Nuclei and Cold Atoms Yoram Alhassid Yale University NP - Nuclear Physics 53,000 100 20 368 ERCAP0020820
Three-dimensional studies of white dwarfs, massive stars, and neutron star systems Michael Zingale Stony Brook University NP - Nuclear Physics 80,000 100,000 20 5 ERCAP0020354
Study of nuclei and nuclear matter in high energy ion-ion and electron-ion collisions Bjoern Schenke Brookhaven National Lab NP - Nuclear Physics 20,250 100 22 30 ERCAP0020110
Ab initio nuclear structure Mark Caprio University of Notre Dame NP - Nuclear Physics 26,000 2,000 20 124 ERCAP0020422
Non-equilibrium QCD in Heavy-Ion Collisions Soeren Schlichting Bielefeld Universitat NP - Nuclear Physics 15,000 100 20 7 ERCAP0021112
Neutrinos and compact objects Huaiyu Duan University of New Mexico NP - Nuclear Physics 120 100 20 1 ERCAP0021729
Gauge Connection Andre Walker-Loud Lawrence Berkeley National Laboratory NP - Nuclear Physics 400 100 200 1 ERCAP0022049
Microscopic fermionic simulations: from cold atoms to nuclei and neutron stars Alexandros Gezerlis University of Guelph NP - Nuclear Physics 3,200 100 20 5 ERCAP0020212
Developing an Understanding of Core-Collapse Supernova Explosion Systematics using 2D CHIMERA models William Raphael Hix Oak Ridge National Laboratory NP - Nuclear Physics 37,000 1,200 20 485 ERCAP0020269
Quantum Chromodynamic Analysis of Hadron Structure and Application to Cosmology Chueng-Ryong Ji North Carolina State University NP - Nuclear Physics 800 100 20 1 ERCAP0019964
Ab initio calculations of nuclear reactions with few- and many-body systems Charlotte Elster Ohio University NP - Nuclear Physics 10,000 100 20 1 ERCAP0020399
Simulation and Analysis for IceCube Sally Robertson Lawrence Berkeley National Laboratory NP - Nuclear Physics 6,000 200 61 7,257 ERCAP0020806
Enhanced All-sky Gamma-ray Imaging in the MeV Domain with the COSI Compton Telescope Andreas Zoglauer University of California Berkeley NP - Nuclear Physics 9,000 100 40 103 ERCAP0021218
Computation and Storage for LBNL Nuclear Science Division at NERSC Yuen-Dat Chan Lawrence Berkeley National Laboratory NP - Nuclear Physics 100 100 20 9 ERCAP0021148
Exploration of Hadron Structure using Lattice QCD John Negele Massachusetts Institute of Technology NP - Nuclear Physics 115,000 26,000 20 580 ERCAP0020220
Lattice QCD Monte Carlo Calculation of Hadronic Structure and Spectroscopy Keh-Fei Liu University of Kentucky NP - Nuclear Physics 290,000 60,000 429 4,501 ERCAP0019908
Data analysis and simulations for the ALICE experiment at the LHC R. (Jeff) Porter Lawrence Berkeley National Laboratory NP - Nuclear Physics 28,100 1,600 394 20 ERCAP0020279
Calculations of nuclei across the nuclear chart: charge-exchange modes, beta-decay and entanglement. Caroline Robin Bielefeld Universitat NP - Nuclear Physics 3,000 100 20 1 ERCAP0020705
Dynamics of Relativistic Heavy Ion Collisions Bin Zhang Arkansas State University - Jonesboro NP - Nuclear Physics 100 100 20 1 ERCAP0019943
High Precision Calculations of the Nucleon Structure for Fundamental Symmetries Rajan Gupta Los Alamos National Laboratory NP - Nuclear Physics 90,000 20,000 49 83 ERCAP0020087
Simulations of event-by-event jet quenching in high-energy heavy-ion collisions Xin-Nian Wang Lawrence Berkeley National Laboratory NP - Nuclear Physics 10,000 100 35 1 ERCAP0019867
Quantum Monte Carlo calculations of properties of strongly interacting Fermi systems Stefano Gandolfi Los Alamos National Laboratory NP - Nuclear Physics 7,000 100 20 1 ERCAP0021229
Astrophysics of Supernova Progenitors Andrew Nonaka Lawrence Berkeley National Laboratory NP - Nuclear Physics 7,000 2,000 147 1 ERCAP0020295
Semiconductors and scintillators for radiation detection Koushik Biswas Arkansas State University - Jonesboro NP - Nuclear Physics 100 100 20 1 ERCAP0020195
QCD Thermodynamics at High Temperature Alexei Bazavov Michigan State University NP - Nuclear Physics 3,750 8,000 25 48 ERCAP0021830
Towards a complete catalog of variable sources to support efficient searches for compact binary mergers and their products Michael Coughlin University of Minnesota Twin Cities NP - Nuclear Physics 16,000 8,000 20 1 ERCAP0020488
Simulations and Analysis for a Large Scale Germanium Neutrinoless Double Beta Decay Experiment (LEGEND) Alan Poon Lawrence Berkeley National Laboratory NP - Nuclear Physics 20,000 2,000 226 2 ERCAP0020975
Nuclear Computational Low-Energy Initiative (NUCLEI) SciDAC-4 project Joseph Carlson Los Alamos National Laboratory NP - Nuclear Physics 18,500 100 20 1 ERCAP0021181
Tuning new lattice QCD action for applications in nuclear physics. Andre Walker-Loud Lawrence Berkeley National Laboratory NP - Nuclear Physics 180,000 11,000 68 1 ERCAP0020427
Structure and Dynamics of Light Nuclei Rocco Schiavilla Jefferson Lab NP - Nuclear Physics 7,000 100 20 1 ERCAP0020709
Particle Tracking for RHIC,AGS and future BNL machines. Vahid Ranjbar Brookhaven National Lab NP - Nuclear Physics 1,000 100 20 3 ERCAP0021254
Data Analysis and Simulations for KamLAND Brian Fujikawa Lawrence Berkeley National Laboratory NP - Nuclear Physics 100 100 20 1,025 ERCAP0020802
Radiative Transfer in Supernovae, r-process, and stellar evolution Edward Baron University of Oklahoma NP - Nuclear Physics 1,900 1,000 20 1 ERCAP0019877
Tunable organometallic compounds for controlled complexity Vyacheslav Bryantsev Oak Ridge National Laboratory NP - Nuclear Physics 15,000 2,000 20 1 ERCAP0020535
Physics and detector simulations for the future Electron-Ion Collider Irakli Chakaberia Lawrence Berkeley National Laboratory NP - Nuclear Physics 1,600 100 20 1 ERCAP0020280
Hadron Structure from Lattice QCD Kostas Orginos College of William & Mary NP - Nuclear Physics 420,000 17,000 20 1 ERCAP0020344
Effects of magnetic field and dynamical ejecta on compact object merger outflows and nucleosynthesis Alexander Tchekhovskoy Northwestern University NP - Nuclear Physics 1,500 16,000 20 60 ERCAP0020543
Quantum Monte Carlo in Fock space for nucleon matter Carlo Barbieri Universita degli Studi di Milano NP - Nuclear Physics 1,400 100 20 1 ERCAP0020946
Resolving the controversy between two-nucleon scattering calculationsperformed at heavy pion mass using various lattice QCD techniques Amy Nicholson University of North Carolina at Chapel Hill NP - Nuclear Physics 55,000 1,000 57 216 ERCAP0021598
superconducting RF cavity design for electron-ion collider Shaoheng Wang Jefferson Lab NP - Nuclear Physics 2,000 120 20 1 ERCAP0020350
Storage for Sudbury Neutrino Observatory (SNO) data Alan Poon Lawrence Berkeley National Laboratory NP - Nuclear Physics 100 100 20 1 ERCAP0020970
Simulation and data analysis of the KATRIN Experiment Alan Poon Lawrence Berkeley National Laboratory NP - Nuclear Physics 2,000 100 20 1 ERCAP0020974
Accurate theoretical predictions for systems of superheavy elements (SHE) Walter Loveland Oregon State University NP - Nuclear Physics 4,500 120 20 1 ERCAP0020017
Quantum Monte Carlo calculations for standard and strange nuclear systems Diego Lonardoni Los Alamos National Laboratory NP - Nuclear Physics 25,000 100 20 1 ERCAP0019993
Supernova Explosions in Three Dimensions Tomasz Plewa Florida State University NP - Nuclear Physics 45,000 100 25 640 ERCAP0021501
Models of Stellar Explosions Daniel Kasen Lawrence Berkeley National Laboratory NP - Nuclear Physics 4,500 1,000 20 1 ERCAP0021327
Nuclear physics at LHCb J. Matthew Durham Los Alamos National Laboratory NP - Nuclear Physics 18,000 100 20 1 ERCAP0021390
Exploring local chiral effective field theory interactions with Quantum Monte Carlo methods Ingo Tews Los Alamos National Laboratory NP - Nuclear Physics 15,000 100 20 1 ERCAP0021027
The gluonic structure, pressure, and shear distributions of the nucleon Phiala Shanahan Massachusetts Institute of Technology NP - Nuclear Physics 100 10,000 20 1 ERCAP0020825
Quarkonia in Hot Medium Peter Petreczky Brookhaven National Lab NP - Nuclear Physics 100 45,000 52 72 ERCAP0020948
Analysis and Simulation for the GlueX Detector David Lawrence Jefferson Lab NP - Nuclear Physics 240,000 100 500 1 ERCAP0020327
Particle acceleration in astrophysical collisionless shocks Anatoly Spitkovsky Princeton University NP - Nuclear Physics 20,000 100 20 2 ERCAP0021556
Simulation and data analysis for CUPID tonne-scale neutrinoless double-beta decay experiment Yury Kolomensky University of California Berkeley NP - Nuclear Physics 1,000 100 43 7 ERCAP0020299
Majorana - Neutrinoless Double Beta Decay Yuen-Dat Chan Lawrence Berkeley National Laboratory NP - Nuclear Physics 10,268 1,000 235 417 ERCAP0020924
Rotating Superfluids via Complex Langevin Casey Berger Smith College NP - Nuclear Physics 3,000 100 20 1 ERCAP0021439
Structure and Reactions of Hadrons and Nuclei; Non-perturbative Solutions of Strongly Interacting Particles and Nuclei James Vary Iowa State University NP - Nuclear Physics 60,000 7,000 20 25 ERCAP0020944
Nuclear structure and reactions from first principles Kristina Launey Louisiana State University NP - Nuclear Physics 18,000 100 20 1 ERCAP0021007
Supernovae of Very Massive Stars Ke-Jung (Ken) Chen Academia Sinica Taiwan NP - Nuclear Physics 4,000 100 20 1 ERCAP0020383
Lighting up the Exotic Supernovae Ke-Jung (Ken) Chen Academia Sinica Taiwan NP - Nuclear Physics 5,000 100 20 34 ERCAP0020379
Three-Dimensional Simulations of Core-Collapse Supernovae Adam Burrows Princeton University NP - Nuclear Physics 56,000 100 73 20 ERCAP0019801
Neutron Star Mergers: Nucleosynthesis and Multimessenger Emissions David Radice Penn State University - University Park NP - Nuclear Physics 180,000 200 120 10 ERCAP0021667
Advanced beam dynamics simulation of electron ion colliders for nuclear physics research Ji Qiang Lawrence Berkeley National Laboratory NP - Nuclear Physics 7,500 100 20 1 ERCAP0020235
Data Analysis and Simulations for the CUORE Neutrinoless Double Beta Decay Experiment Yury Kolomensky University of California Berkeley NP - Nuclear Physics 5,700 100 272 306 ERCAP0020368
Resonance Properties in the Decay Signatures of Exotic Mesons from Quantum Chromodynamics Robert Edwards Jefferson Lab NP - Nuclear Physics 60,000 30,000 20 8 ERCAP0020467
The Structure of Light Nuclei from Lattice QCD William Detmold Massachusetts Institute of Technology NP - Nuclear Physics 138,000 18,000 20 528 ERCAP0020480
Particle tracking simulations for Neutron Beta Decay Measurements Albert Young North Carolina State University NP - Nuclear Physics 1,200 100 20 1 ERCAP0021619
STAR Detector Simulations and Data Analysis R. (Jeff) Porter Lawrence Berkeley National Laboratory NP - Nuclear Physics 65,000 100 588 3,323 ERCAP0020115
Magnetic Field, Radiation, Protostellar and Ionization Feedback Effects in Star Formation Richard Klein University of California Berkeley NP - Nuclear Physics 45,000 100 20 100 ERCAP0020698
Probing the Bjorken-x Dependence of the Strange Distribution of the Proton on the Lattice Huey-Wen Lin Michigan State University NP - Nuclear Physics 120,000 100 20 243 ERCAP0019763
Large scale simulations of nuclear structure for symmetries and weak transitions Calvin Johnson San Diego State University NP - Nuclear Physics 10,000 100 20 1 ERCAP0020682
Exploring the real time dynamics of the chiral phase transition in heavy ion collisions Derek Teaney Stony Brook University NP - Nuclear Physics 2,000 100 20 1 ERCAP0020266
Hydrodynamics and Nucleosynthesis of Supernovae and Compact Object Mergers Rodrigo Fernandez University of Alberta NP - Nuclear Physics 2,700 100 20 38 ERCAP0021072
Neutrino Flavor Transformation in Neutron Star Mergers Sherwood Richers University of California Berkeley NP - Nuclear Physics 250 4,600 20 1 ERCAP0021631
Parallel Simulations of X-ray Beamlines Ilya Pogorelov RadiaSoft LLC SBIR - Small Business Innovation Research 2,000 100 20 1 ERCAP0021446
Interference coatings for high energy and average power femtosecondclass lasers Enam Chowdhury Ohio State University SBIR - Small Business Innovation Research 7,500 100 20 1 ERCAP0021422
Hardening Advanced Methods for Predicting 3D Unsteady Flows Around Wind Turbines for Industrial Use Glen Whitehouse Continuum Dynamics Inc. SBIR - Small Business Innovation Research 250 100 20 1 ERCAP0020170
Simulation of Supercritical CO2 Compressors and Combustors for Design Support Ashvin Hosangadi Combustion Research and Flow Technology, Inc (CRAFT Tech) SBIR - Small Business Innovation Research 7,500 100 20 1 ERCAP0020648
SCR-Exa: Enhanced Scalable Checkpoint-Restart (SCR) Library for Next Generation Exascale Computing Systems Donglai Dai X-ScaleSolutions, LLC SBIR - Small Business Innovation Research 250 100 20 1 ERCAP0021242
Energy Recovery Linac Designs and Studies for Electron Cooling of Hadron Beams Nicholas Taylor Jefferson Lab SBIR - Small Business Innovation Research 200 100 20 1 ERCAP0021698
Expanding Access to Electronic Property Modeling in Scintillator Crystal Growth and Development Phase 2 Andrew Canning Lawrence Berkeley National Laboratory SBIR - Small Business Innovation Research 12,000 100 20 1 ERCAP0021806
Combustion Modeling for Direct Fired Supercritical CO2 Power Cycles William Calhoon Combustion Research and Flow Technology, Inc (CRAFT Tech) SBIR - Small Business Innovation Research 5,500 100 20 1 ERCAP0020200
A Cost-Effective High-Configurable Iris Diaphragm Beam Halo Detector Ao Liu Euclid Techlabs Manufacturing and Lab Facility SBIR - Small Business Innovation Research 1,500 100 20 1 ERCAP0019793
Development and Commercialization of SCO2T to Maximize CO2-based Subsurface Energy Potential Richard Middleton Carbon Solutions LLC SBIR - Small Business Innovation Research 3,000 100 20 1 ERCAP0019999
SimWIND: Software to Support Wind Siting and Environmental Challenges Richard Middleton Carbon Solutions LLC SBIR - Small Business Innovation Research 100 100 20 1 ERCAP0020007