NERSCPowering Scientific Discovery Since 1974

2009 Awards

2009 Initial Allocations Awards

The following table lists the initial allocation awards for NERSC for the 2009 allocation year (Jan 13, 2009 through Jan 11, 2010). The list is in alphabetical order by the last name of the Principal Investigator.

Note - Letters following the repository name indicate the following:

'S' NERSC Startup award
'I' INCITE award

 

 

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z


Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Adams, Paul Berkeley Lab 83193 m811 80,000 200,000 The Joint Bioenergy Institute (JBEI) Adams, Paul Berkeley Lab 83306 jbei 600,000 JBEI Archive Agarwal, Deborah Berkeley Lab 83032 m510 20,000 60,000 Berkeley Water Center Agarwal, Deborah Berkeley Lab 83033 mpdsd 15,000 100,000 CRD Advanced Computing for Science Department Guest Accounts Al-Jassim, NREL 82896 mp308 50,000 1,000 Theoretical simulations of Mowafak effects of extended and point defects on the properties of advanced PV materials Aldering, Greg Berkeley Lab 82964 m112 15,000 1,800,000 The Nearby Supernova Factory snfactry Alhassid, Yoram Yale Univ 82960 mp69 300,000 1,000 Statistical Many-Body Studies of Nuclei and Quantum Dots Andersen, Berkeley Lab 82724 m782 30,000 500 Calculations of reaction Richard pathways for complexes of f- block metals with experimentally realistic ligands Andricioaei, UC Irvine 83061 m739 1,500,000 1,000 Energetics of the Mechano- Ioan Chemical Coupling in DNA- Protein and DNA-Nanoparticle Complexes Annamalai, Hanna U. Hawaii 83068 m774 250,000 500 Future Projections of Mean and Variability of the Asian summer monsoon and Indian Ocean climate system Arienti, Marco Untd Tech Crp 83245 m945 15,000 500 Leading edge Resrch Ctr multiscale/multiphase research enabled by massively parallel AMR-based simulations to study efficient fuel atomization Arons, Jonathan UC Berkeley 82877 m677 200,000 25,000 Particle acceleration in astrophysical collisionless shocks Aspuru-Guzik, Harvard Univ 83075 m702 S 15,000 1,000 Computational design of novel Alan organic photovoltaic materials with improved hole- and electron-transport properties. Asthagiri, Dilip Johns Hopkins 83297 m983 15,000 1,500 Effect of glycosylation on Univ gating of K+ channels Autrey, Tom PNNL 83196 m852 15,000 500 Control of Hydrogen Release and Uptake in Condensed Phases
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Babikov, Dmitri Marquette 82864 m409 250,000 5,000 Coherent Control of the Univ Ground Electronic State Molecular Dynamics Baddourah, Majdi Saudi Aramco 83110 m854 S 15,000 500 Benchmark of POWERS Oil Simulator Baden, Scott UC San Diego 82878 m821 S 15,000 500 Non-SPMD graph-based execution Bagchi, Rutgers Univ 83853 m1061 S 20,000 5,000 Massively large-scale Prosenjit simulations to study dynamics of dense suspension of deformable particles using immersed boundary methods Bai, Zhaojun UC Davis 83054 m746 25,000 500 Next Generation Multit-Scale Quantum Simulation Software for Strongly Correlated Materials Bailey, David Berkeley Lab 82839 m88 800,000 10,000 The Performance Engineering Research Institute Bailey, David Berkeley Lab 82854 mp207 20,000 1,000 Experimental Mathematics and High-Precision Software Balaji, V Princeton 83228 m743 2,610,000 100,000 Coupled High-Resolution Univ Modeling of the Earth System Balasubramanian, CSU East Bay, 83092 m719 80,000 500 Electronic Structure of Krishnan Hayward Tranisition Metal Clusters and Environmental Actinide Complexes Balbuena, Perla Texas A&M 82951 m249 200,000 5,000 Computational chemistry Univ search of efficient catalysts Balbuena, Perla Texas A&M 82952 m668 15,000 1,000 Catalyzed growth of carbon Univ nanotubes Bansil, Arun Northeastern 82752 m225 70,000 1,000 Correlation Effects, Magnetism, and Spectroscopy of Complex Materials, including Nanosystems Barad, Michael Stanford Univ 82723 m502 750,000 100,000 Multiscale Simulations of Oceanic Internal Gravity Waves Baron, Edward U. Oklahoma 82745 mp90 350,000 20,000 Synthetic Spectra of Astrophysical Objects Bartschat, Klaus Drake Univ 83243 m864 S 15,000 1,000 High-precision calculations for electron and photon interactions with atoms and ions Bass, Steffen Duke Univ 83267 m962 S 15,000 5,000 Modeling of Relativistic Heavy-Ion Collisions - extracting Physics through a comprehensive Theory to Data Analysis Batchelor, Don Oak Ridge 83016 m876 750,000 3,000 Center for Simulation of Wave Interactions with MHD Batista, Victor Yale Univ 83112 m410 50,000 1,000 QM/MM Studies of High-Valent Manganese Complexes Batista, Victor Yale Univ 83122 mp311 50,000 1,000 Simulations of electron-hole relaxation dynamics on functionalized TiO2-anatase surfaces Behling, Pat U. Wisc. 83120 m285 100,000 85,000 Towards the prediction of Madison decadal to mult-century processes in a high- throughput climate system model Bell, John Berkeley Lab 82762 mp111 2,500,000 3,500,000 Applied Partial Differential Equations Center Bell, John Berkeley Lab 83020 incite16 I 3,000,000 4,000,000 Interaction of Turbulence and Chemistry in Lean Premixed Laboratory Flames Benedek, Roy Argonne 82719 mp169 20,000 1,000 First Principles Calculations for Lithium-Ion Battery Electrodes and Electrode Coatings Berg, Bernd Florida State 82860 m839 50,000 2,000 Deconfined Equilibrium with Confined Boundary Conditions in SU3 Lattice Gauge Theory (Continuation as Startup Proposal for 2009) Bergmann, Dan Livermore Lab 82887 mp163 40,000 50,000 Atmospheric Formation, Transformation, and Radiative Forcing of Acid-Catalyzed Secondary Organic Aerosols Bern, Zvi UCLA 83232 m938 15,000 1,000 Precision multiparticle calculations for the LHC Bethel, Edward Berkeley Lab 83085 m636 100,000 250,000 SciDAC2 Visualization and (Wes) Analytics Center for Enabling Technologies Bhattacharjee, U. New 82909 m148 150,000 60,000 Center for Integrated Amitava Hampshire Computation and Analysis of Reconnection and Turbulence Birkholzer, Jens Berkeley Lab 83428 m1012 S 15,000 2,000 ASCEM - Advanced Subsurface Computing for Environmental Management Boman, Erik Sandia Lab NM 82829 m708 15,000 500 Combinatorial scientific computing: load balancing and matrix ordering. Bonoli, Paul MIT 82791 m77 1,000,000 2,000 Center for Simulation of Wave-Plasma Interactions: SciDAC Project Bonoli, Paul MIT 83211 incite21 I 5,000,000 50,000 Integrated Simulations of Energetic Particles Driven by High Power Electromagnetic Waves in Fusion Plasmas Borrill, Julian Berkeley Lab 82970 cmbpol 80,000 50,000 Simulations and analyses for CMBpol mission concept studies Borrill, Julian Berkeley Lab 82971 planck 500,000 200,000 Cosmic Microwave Background Data Analysis For The Planck Satellite Mission Borrill, Julian Berkeley Lab 82972 mp107 100,000 55,000 Cosmic Microwave Background Data Analysis For Sub-Orbital Experiments Bowman, Joel Emory Univ 82943 m651 600,000 4,000 Theoretical studies of combustion dynamics Braams, Bastiaan Emory Univ 83164 m631 300,000 2,000 Hydrocarbons in plasma Branstetter, Oak Ridge 83142 m543 10,000 1,000 River Transport and Hydrology Marcia in CCSM Brennan, Dylan U. Tulsa 83057 m908 200,000 10,000 Numerical Extended Magnetohydrodynamics in Toroidal Magnetic Confinement Broadbelt, Linda Northwestern 82888 m763 20,000 500 Cooperative Effects in Aldol- type Reactions Catalyzed by L-proline and Its Derivatives: A DFT Study Brown, Nancy Berkeley Lab 83251 m949 S 15,000 100 Combustion Chemistry Brown, Virginia MIT 82945 m173 1,000 1,000 Electroweak and Electromagnetic Interactions in the Nucleon-Nucleon System; Pion Production; Double Beta Decay Bruhwiler, David Tech-X Corp 82780 m327 450,000 10,000 Parallel Simulation of Electron Cooling Physics and Beam Transport Brush, Charles CA Dept of 83317 m997 S 15,000 5,000 Using the California Central Water Valley Groundwater-Surface Resource Water Simulation Model to study impacts of extended drought on groundwater levels, surface water flows, and agricultural management practices.
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Cameron-Smith, Livermore Lab 83081 m411 90,000 80,000 Interaction of Atmospheric Philip Chemistry and Aerosols with Climate Cameron-Smith, Livermore Lab 83240 m941 S 15,000 10,000 Investigation of the Philip Magnitudes and Probabilities of Abrupt Climate Transitions (IMPACTS) Canning, Andrew Berkeley Lab 83096 m619 S 20,000 4,000 EAD289C UC Davis graduate course in Computational Modelling Canning, Andrew Berkeley Lab 83156 m126 200,000 20,000 Mathematical/Computational Methods for Electronic Structure Codes in Nanoscience Car, Roberto Princeton 83326 m1002 200,000 500 Ab Initio Molecular Dynamics Univ simulation of liquid water using the PBE0 functional Carlson, Joseph Los Alamos 82833 m308 750,000 10,000 Low-Energy Nuclear Physics Lab National HPC Initiative: Building a Universal Nuclear Energy Density Functional Caro, Alfredo Livermore Lab 83089 mp43 50,000 15,000 Microstructure evolution in irradiated materials Carter, Jonathan Berkeley Lab 83034 mphpcd 15,000 1,000 NERSC High Performance Computing Department Training Accounts Cassak, Paul West Virginia 82819 m866 50,000 40,000 Onset and Evolution of Univ Magnetic Reconnection in Three Dimensions Cattaneo, Fausto U. Chicago 83177 m557 17,000 40,000 Magneto-rotational instability and turbulent angular momentum transport Cerovecki, Ivana UC San Diego 83846 m1060 S 20,000 5,000 North Pacific Mesoscale Coupled Air-Ocean Simulations Compared with Observations Cessi, Paola Scripps Inst 83076 m699 2,000,000 5,000 The Role of Eddies in the Meridional Overturning Circulation Chan, Yuen-Dat Berkeley Lab 82832 babar 60,000 Storage for Nuclear Physics e895 Computations using PDSF at e896 NERSC mp46 na49 nsd rhicthry sno Chan, Yuen-Dat Berkeley Lab 82858 majorana 20,000 Majorana - Neutrinoless Double Beta Decay Chang, Choong- Courant Inst 82926 m499 3,000,000 10,000 Center for Plasma Edge Seock Simulation: SciDAC FSP Prototype Center Chelikowsky, U. Texas 82911 m175 50,000 5,000 Electronic, Magnetic and James Austin Structural Properties of Localized Systems Chelikowsky, U. Texas 82919 m433 800,000 10,000 Scalable Methods for James Austin Electronic Excitations and Optical Responses of Nanosctructures: Mathematics to Algorithms to Observables Chen, Jacqueline Sandia Lab CA 83044 mp241 1,600,000 300,000 Direct Numerical Simulations of Clean and Efficient Combustion with Alternative Fuels Chen, Liu UC Irvine 82845 m92 1,000,000 10,000 Nonlinear Instability and Turbulent Transport Simulations Chen, Yang U. Colorado 82776 mp118 250,000 1,500 Kinetic simulation of plasma Boulder microturbulence, kinetic MHD phenomena and magnetic reconnection processes Cheng, Hai-Ping U. Florida 82957 mp261 700,000 10,000 Multiscale Simulations of Particle-, Molecule-Surface Interactions, simulations of nanowires: Structure, dynamics, and quantum transport, and structure and electronic structure of high Tc materials Childs, Hank Livermore Lab 83040 visit 15,000 1,000 VisIt Ching, Wai-Yim U. Missouri 82842 mp250 750,000 1,000 Theoretical Studies of the KC Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials Chou, Mei-Yin Georgia Tech 82884 mp258 25,000 5,000 First-Principles Investigation of Complex Materials Properties Chou, Mei-Yin Georgia Tech 82949 m663 15,000 3,000 Phase Stability and Reaction Dynamics of Metal Hydrides Choudhary, Alok Northwestern 82848 m844 75,000 500 Parallel I/O software infrastructure for large- scale systems Chrzan, Daryl Berkeley Lab 82985 mp110 100,000 1,000 Computational Materials Science Chu, Jhih-Wei UC Berkeley 83052 m787 150,000 10,000 Activation and Stabilization of Enzymes in Non-aqueous Environments Chuang, Livermore Lab 83003 m428 50,000 100,000 Aerosol Forcings and Catherine Consequences on Climate Changes Clarke, Leon PNNL 82995 m898 500,000 1,000 Climate change scenario discovery and uncertainty project Cohen, Bruce Livermore Lab 82708 gc3 1,000,000 12,000 Magnetic Fusion Plasma Microturbulence Project Cohen, Bruce Livermore Lab 82709 mp2 150,000 30,000 LLNL MFE Supercomputing Cohen, Marvin Berkeley Lab 82730 mp173 250,000 20,000 Ab Initio Prediction of Structural and Electronic Properties of Materials Collins, William Berkeley Lab 83010 m833 S 15,000 2,000 Integrated Earth Systems Climate Modeling and Analysis Collins, William Berkeley Lab 83697 m1040 S 20,000 10,000 Investigation of the Magnitudes and Probabilities of Abrupt Climate TransitionS (IMPACTS) Colvin, Michael UC Merced 82778 m732 500 Molecular Dynamics Simulations of Nucleoporin Clusters and Aggregates Compo, Gil U. Colorado 82934 incite11 I 1,000,000 1,000,000 Surface Input Reanalysis for Boulder Climate Applications (SIRCA) 1850-2011 Comstock, PNNL 82816 m738 60,000 10,000 Cloud Resolving Modeling of Jennifer Tropical Deep Convection Cooper, Oak Ridge 83820 m1057 20,000 5,000 Theoretical Studies of Valentino Layered Heterostructures Covey, Curtis Livermore Lab 82928 mp193 20,000 2,000,000 Program for Climate Model Diagnosis and Intercomparison Cowan, Benjamin Tech-X Corp 83294 m981 S 15,000 5,000 Simulation of photonic crystal structures for laser driven particle acceleration Crane, Gregory Tufts 83207 m855 250,000 15,000 Large-Scale Learning and the University Automatic Analysis of Historical Texts Cummings, Peter Vanderbilt 82773 mp138 550,000 5,000 Molecular-Based Simulation of Univ Complex and Nanostructured Fluids Cummings, Peter Oak Ridge 83116 m535 100,000 1,000 Physics on the computer: Molecular Electronics at realistic length scales Curtiss, Larry Argonne 83163 m440 20,000 1,000 Catalytic Reaction Mechanisms in Nanoporous Membranes
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
D'Ippolito, Lodestar 83030 m376 1,000 1,000 Edge, SOL and Divertor Daniel Corp. Modeling Daggett, Valerie U. Washington 82838 m559 1,500,000 30,000 Molecular Dynameomics Damrauer, Niels U. Colorado 83270 m964 15,000 200 Applications of Adaptive Boulder Quantum Control to Research Questions in Solar Energy Conversion Davidson, Ronald PPPL 82982 m74 40,000 10,000 Nonlinear Delta-f Particle Simulation of Collective Effects for Heavy Ion Fusion Drivers and High Intensity Particle Accelerators Davidson, Ronald PPPL 83023 m314 20,000 1,000 Simulations of Field-Reversed Configuration and Other Compact Tori Plasmas Daw, Murray Clemson Univ 82914 m638 100,000 1,000 Theoretical modeling of thermoelectric materials De Jong, Wibe PNNL 82869 m834 50,000 1,000 Modeling the Influence of Solution Phase and Interfacial Structure on the Stability of Actinide Oxidation States De Jong, Wibe PNNL 82983 mp15 200,000 1,000 EMSL Molecular Science Software Capability Development, NERSC Performance Improvement, and Benchmarking De Jonghe, Berkeley Lab 83175 m877 15,000 500 Proton Conduction in Lutgard Lanthanum Meta-Phosphates using Nudged Elastic Band Calculations DeWeaver, Eric U. Wisc. 83141 m431 20,000 35,000 Dynamics of Arctic and sub- Madison Arctic climate and atmospheric circulation: diagnosis of mechanisms and biases using data assimilation Dean, David Oak Ridge 82989 m203 500,000 1,000 Computational nuclear many- body problem Decyk, Viktor UCLA 82853 mp201 30,000 60,000 Turbulent and MHD behavior of plasmas Demmel, James UC Berkeley 83029 mp156 53,000 2,000 Linear Algebra Algorithms on High Performance Computers Denlinger, Berkeley Lab 83254 m956 S 15,000 1,000 Solid state LDA band Jonathan structure calculations for analysis of ALS synchrotron ARPES experiments Derenzo, Stephen Berkeley Lab 83102 m551 100,000 20,000 Electronic structure calculations of new scintillator materials Detmold, William U. Washington 82711 m789 1,400,000 200,000 Physics of bottom baryons in lattice QCD Devereaux, SLAC 82825 m772 200,000 500 Simulation of Photon Thomas Spectroscopies for Correlated Electron Systems Diamond, Pat UC San Diego 82954 m786 2,000,000 100,000 Fusion SciDAC: Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas Dietiker, Jeff Morgantown 83318 m998 S 15,000 5,000 Cartesian Grid Implementation ETC in multiphase flow solver MFIX Dimitrov, Tech-X Corp 82782 m446 30,000 2,000 3D Modeling of an Electron Dimitre Gun with a Diamond Amplifier Dominguez, U. Arizona 83305 m989 S 20,000 5,000 Regional Climate Modeling Francina study of hydrologic Extremes in a changing climate Doniach, Stanford Univ 83157 m661 20,000 1,000 Electrostatic and Sebastian Conformational Entropy Effects in Structured Nucleic Acid Systems Dorland, William U. Maryland 83161 mp217 250,000 85,000 Turbulence, Transport and Magnetic Reconnection in High Temperature Plasma Dorland, William UCLA 83165 m414 500,000 55,000 Fusion Science Center For Multiscale Plasma Dynamics Drazer, German Johns Hopkins 83260 m955 S 15,000 1,000 Transport of finite size Univ particles in ordered and disordered arrays of obstacles Dunietz, Barry U. Michigan 83123 m467 15,000 500 Ab-initio design of molecular scale electronic devices and materials for alternative fuel technology. Dupuis, Michel PNNL 82803 m544 100,000 1,000 Charge Transfer, Transport, and Reactivity in Complex Environments.
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Elster, Ohio Univ 83064 mp20 125,000 1,000 Three Nucleon Scattering and Charlotte Bound State Calculations in Three Dimensions
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Faller, Roland UC Davis 82807 m474 50,000 5,000 Polymers in confined geometries Fast, Jerome PNNL 82820 m754 1,000,000 175,000 Regional Multi-scale Modeling of Aerosol Radiative Impact on Climate Fawley, William Berkeley Lab 82817 mp197 1,000 1,000 Numerical Simulation of Short-Wavelength Free- Electron Lasers for Future Light Sources Fedorov, Alexey Yale Univ 83272 m970 15,000 2,000 What mechanisms control the strength of the cold tongue in the Eastern Equatorial Pacific? Fedorov, Alexey Yale Univ 83343 m1004 200,000 160,000 Tropical cyclones and the shallow Pacific overturning circulation Felmy, Andrew PNNL 83063 mp119 500,000 7,000 Computational Studies in Molecular Geochemistry Fleming, George Yale Univ 83266 m961 S 15,000 5,000 Lattice Strong Dynamics at the TeV scale Fleming, Graham Berkeley Lab 83042 mp364 50,000 15,000 Simulations of nonlinear optical spectra and energy transfer dynamics of photosynthetic light- harvesting complexes. Fox-Rabinovitz, U. Maryland 82906 m527 30,000 500,000 Decadal Climate Studies with Michael Enhanced Variable and Uniform Resolution GCMs Using Advanced Numerical Techniques Fox-Rabinovitz, U. Maryland 82938 m893 20,000 100,000 Development of ensemble Michael neural network convection parameterizations for climate models using ARM data Franceschetti, NREL 82962 m352 50,000 1,000 Electronic excited states in Alberto semiconductor quantum dots Freedman, Stuart UC Berkeley 82916 cuore 15,000 Data Analysis and Simulation for the CUORE Neutrinoless Double Beta Decay Experiment Freedman, Stuart Berkeley Lab 83059 kamland 4,000,000 Data Analysis and Simulations for KamLAND Freeman, Arthur Northwestern 82927 mp134 400,000 1,000 Electronic Structure and Novel Properties in Complex Oxides and Hetero-interfaces Freericks, James Georgetown 83212 incite22 I 2,250,000 10,000 Massively parallel simulation Univ of pump-probe time-resolved photoemission Fridlind, Ann NASA GISS 82923 m843 300,000 14,000 Arctic Stratus and Tropical Deep Convection: Integrating Measurements and Simulations Friedman, Alex Livermore Lab 82882 mp42 100,000 6,000 Simulation of intense beams for heavy-ion-fusion science Fu, Guoyong PPPL 83115 m912 1,500,000 10,000 Plasma Energetic Particle Simulation Center Fung, Inez UC Berkeley 82710 m189 300,000 110,000 Carbon Data Assimilation with a coupled Ensemble Kalman Filter Fung, Inez UC Berkeley 83309 m992 S 15,000 5,000 Modeling Diurnal Variations of California Land Biosphere CO2 fluxes Furman, Miguel Berkeley Lab 83127 mp93 5,000 1,000 Beam dynamics issues in the new high-intensity particle colliders and storage rings
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Galli, Giulia UC Davis 83154 m542 500,000 5,000 First principles simulations of nanostructures Gangopadhyay, AMEC - Earth 83299 m984 15,000 10,000 Climate Change and Hydrologic Subhrendu & Enviro Modeling Framework for the Colorado River Basin Garrett, Bruce PNNL 82961 mp329 400,000 1,000 Chemical reactivity, solvation and multi-component heterogeneous processes in aqueous environments Gatica, Silvina Howard Univ 83239 m940 S 5,000 100 Computer simulation study of the effect of the substrate relaxation on adsorption properties Geddes, Cameron Berkeley Lab 83071 m558 2,000,000 300,000 Particle simulation of laser wakefield particle acceleration Geissler, UC Berkeley 82831 m628 200,000 1,000 Rare but dramatic Phillip evolutionary events in a microscopic model of protein- like chain molecules Geissler, UC Berkeley 83293 m980 500,000 4,000 Surveying free energy Phillip landscapes for self-assembly of ligand-passivated nanorods in evaporating solution. Gel, Aytekin Morgantown 83144 m813 5,000 1,000 Performance Improvement of ETC MFIX with scalable linear equation solvers (PETSc and hypre) Gerber, Robert UC Irvine 83310 m993 S 15,000 5,000 From Vibrational Spectroscopy to Force Fields & Structures of Saccharides: New Computational Algorithms and Applications Ghosh, Gautam Northwestern 83182 m921 150,000 1,000 Computational Design and Prototype Evaluation of Aluminide Strengthened Ferritic Superalloys for Power Generating Turbine Applications Ginovska, Bojana PNNL 83223 m919 S 15,000 1,000 The Reaction Specificity of Nanoparticles in Solution Gohar, Yousry Argonne 82908 m259 30,000 1,000 ANL Fusion Program Gratta, Giorgio Stanford Univ 83087 saund 10,000 Study of Acoustic Underwater Neutrino Detection Gray, Stephen Argonne 82910 m430 400,000 1,000 Nanoscale Electrodynamics Gray, Stephen Argonne 82918 mp166 10,000 5,000 Quantum Dynamics of Chemical Reactions Greene, Chris U. Colorado 82871 mp318 25,000 5,000 Molecular Dissociation by Boulder Electron Impact Grossman, UC Berkeley 82796 m884 100,000 5,000 Predicting X-ray absorption Jeffrey spectra of CdSe surface from first principles Grossman, UC Berkeley 82797 m900 100,000 500 Nanostructured Thermoelectric Jeffrey Materials Grossman, UC Berkeley 82801 m655 500,000 1,000 Quantum Simulations of Jeffrey Nanoscale Solar Cells Grossman, UC Berkeley 83083 m910 100,000 500 Tunable Thermodynamics and Jeffrey Kinetics for Hydrogen Storage Grosvenor, Allan Ramgen Power 83139 m814 S 15,000 5,000 Accelerated Design Space Sys Search and Optimization for Computational Fluid Dynamics Applications in Turbomachinery Guo, Hua U. New Mexico 82736 m627 200,000 1,000 Quantum dynamics of combustion reactions Gutowski, Iowa State 82965 m612 20,000 2,500 Continuous Dynamic Grid William Adaptation in a Global Atmospheric Model
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Haas, Stephan U. South 83126 m157 120,000 500 Quantum Spin Systems with California Geometric Frustration in High Magnetic Fields Hall, Alex UCLA 83312 m995 15,000 5,000 Transforming the Representation of the Boundary Layer and Low Clouds for High-Resolution Regional Climate Modeling Haranczyk, Berkeley Lab 82850 m875 S 15,000 500 Development of Maciej cheminformatics tools and approaches involving quantum chemical calculations Harkay, Argonne 83036 m878 100,000 10,000 Solid state physics Katherine calculations for the modeling and design of low transverse emittance photocathodes Harmon, Bruce Ames Lab 82963 mp344 150,000 1,000 Electronic and structural properties of surfaces and interfaces Harmon, Bruce Ames Lab 83018 mp101 5,000 1,000 Photonic Band Gap Materials Harris, Charles UC Berkeley 82798 m399 50,000 1,000 Computational Modeling and Simulation of Organometallic Complexes in Solution Head-Gordon, Berkeley Lab 82781 mp54 200,000 7,000 Electronic structure and Martin simulation calculations of reactive chemical systems Head-Gordon, UC Berkeley 82733 m657 1,050,000 5,000 Advanced Theoretical Models Teresa to Characterize the Alzheimers Abeta Peptide Head-Gordon, UC Berkeley 82734 mp53 330,000 1,000 Global Optimization Teresa Approaches for Protein Structure Prediction Head-Gordon, Berkeley Lab 82735 m506 150,000 2,000 Simulation Studies of Bulk Teresa Water and Hydration Water at Interfaces Head-Gordon, Berkeley Lab 83261 m707 S 5,000 2,000 BE143/243: Class Competition Teresa in Molecular Simulation Held, Eric Utah State 83114 m127 50,000 1,000 Application of Parallel Kinetic Closures in NIMROD for Fusion Plasma Simulations Heyden, Andreas U. South 83854 m1065 S 15,000 1,000 Rational catalyst design for Carolina energy production Hinchliffe, Ian Berkeley Lab 82822 atlas 40,000 Simulation of ATLAS Physics Hinchliffe, Ian Berkeley Lab 82823 atlasdc 50,000 ATLAS Data Challenges Hingerty, Brian Oak Ridge 82859 mp106 1,000 Crystallographic, NMR and Molecular Modeling Calculations of Carcinogen Modified DNA, Protein-DNA Complexes and Cyclodextrin Inclusion Complexes Ho, Kai-Ming Ames Lab 83109 m529 400,000 1,000 Predictive Modeling of the Growth and Properties of Energy-Relevant Thin Film and Nanostructures (a CMSN Project) Hoffmann, Roald Cornell Univ 83058 m846 S 15,000 2,000 Computational Studies of Geometric and Electronic Structures of Catalysts under Uniaxial Stress
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Im, Hong U. Michigan 83048 m217 500,000 12,000 Direct Numerical Simulation of Turbulent Flame-Soot- Radiation Interactions at High Pressure Inerbaev, Talgat U. Central 83289 m976 S 15,000 1,000 Ceria nanoparticles as a Florida perspective material for biomedical applications Izzo, Valerie Tech-X Corp 82986 mp21 200,000 10,000 NIMROD Project: Extended Magnetohydrodynamic Modeling for Fusion Experiments Izzo, Valerie General 83001 m455 100,000 1,000 Disruption and disruption Atomics mitigation simulations
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Jacobs, Peter Berkeley Lab 83004 alice 10,000 2,000,000 Data analysis and simulations for the ALICE experiment at the LHC Jardin, Stephen PPPL 82741 mp287 200,000 5,000 Magnetic Reconnection Studies and Pellet Injection/ELMs in Tokamaks using AMR Jardin, Stephen PPPL 82767 mp286 5,000 10,000 Analysis and Design of Stellarator Configurations Jardin, Stephen PPPL 82973 mp288 1,500,000 12,000 3D Extended MHD simulation of fusion plasmas Jarrell, Mark U Cincinnati 82917 m913 400,000 40,000 Next Generation Multi-Scale Quantum Simulation Software for Strongly Correlated Materials Jellinek, Julius Argonne 82765 m196 150,000 2,000 Structure, Energetics and Dynamics of Metal, Including Alloy, Nanoparticles; Interactions of Clusters with Molecules and Surfaces Jena, Puru Virginia Comm 82809 m847 150,000 1,000 Supported, Coated, and Univ Ligated Metal Clusters Ji, Chueng Ryong North 82769 m230 20,000 5,000 Quantum Chromodynamic Carolina Analysis of Hadron Structure State and Application to Cosmology Jiang, De-en Oak Ridge 82726 m697 75,000 500 Computational study for chemistry of novel separations Johnson, Donald U. Wisc. 82904 m167 20,000 26,000 Coupled Climate - Madison Chemistry/Aerosol Modeling Jones, Andrew Colorado 83197 m885 S 15,000 1,000 Environmental Data State Assimilation Judd, Eleanor UC Berkeley 82988 euso 3,000 Extreme Universe Space Observatory
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Kalinichev, Michigan 83093 m645 40,000 500 Molecular Dynamics of Andrey State Geologically Important Fluids and Mineral-Fluid Interfaces Kanai, Yosuke Livermore Lab 83587 m1029 S 20,000 500 First Principles Molecular Dynamics Investigations of Carbon Dioxides Kaplan, Michael Desert Res 83268 m965 100,000 1,000 Tall Tower Wind Energy Inst Monitoring and Numerical Model Validation in Southern Nevada Karplus, Martin Harvard Univ 82728 gc8 900,000 200,000 Molecular simulations of biological processes coupled to biofuel production: from ATP regulated molecular motors, to DNA repair enzymes, to signal transduction proteins and enzyme catalysis in the glycolytic pathway. Kaufman, Ryan SUNY Stony 83320 m1007 S 15,000 1,000 Turbulent Fluid Mixing using Brook the Front Tracking Method Kent, Paul Oak Ridge 82727 m526 4,000,000 100,000 Computational Resources for the Nanomaterials Theory Institute at the Center for Nanophase Materials Sciences Kim, Kwiseon NREL 82790 m514 60,000 1,000 Electronic Structure and Reaction Mechanism of [FeFe] Hydrogenases Kiryluk, Joanna Berkeley Lab 83166 icecube 40,000 Simulation and Analysis for IceCube Kleeman, Michael UC Davis 83269 m963 S 15,000 10,000 Climate Change Impacts on Air Quality in California Klein, Richard UC Berkeley 82804 m231 175,000 350,000 Formation of High-Mass Star Clusters Ko, Kwok SLAC 82785 m349 390,000 5,000 Advanced Modeling for Particle Accelerators Kogan, Boris UCLA 82722 mp66 10,000 1,000 Fibrillation and defibrillation of cardiac simulated tissue in the presence of Ca-induced early and delayed after depolarizations. Kolahi, Kevin UC Berkeley 83265 m960 S 15,000 100 Cell and Protein Mechanics Koller, David U. Virginia 83209 m862 500,000 100,000 High Performance Computing for Processing and Analysis of Digitized 3D Models of Cultural Heritage Koplik, Joel City College 82821 mp247 60,000 1,150 Particulate transport in NY self-affine fractures Koracin, Darko Desert Res 83321 m1000 S 15,000 5,000 North Pacific Mesoscale Inst Coupled Air-Ocean Simulations Compared with Observations Kotamarthi, V. Argonne 82975 m184 50,000 1,000 High-Spatial Resolution Rao Models of Atmospheric Chemistry, Aerosols for Regional Scale Climate Simulations Krakauer, Henry William & 83146 m393 10,000 500 Quantum Monte Carlo studies Mary Kral, Petr U. Illinois 82924 m624 250,000 500 Multiscale Modeling of Chicago Molecular Delivery in Nanomedicine and Nanofluidics Krasnov, UC Berkeley 83259 m954 S 15,000 2,000 Computational Approaches for Alexander Optimal Control of Virtual Environments Kritz, Arnold Lehigh Univ 83046 m649 100,000 8,000 Integrated modeling simulations for the plasma edge Kronik, Leeor Weizmann Inst 82758 incite17 I 810,000 10,000 Understanding the electronic Science structure of novel electronic materials using many-body perturbation theory Kronik, Leeor Weizmann Inst 83113 m716 200,000 5,000 GW calculations of magnetic Science materials Kruger, Scott Tech-X Corp 82786 m681 200,000 5,000 Fusion Application for Core- Edge Transport Simulations Kurien, Susan Los Alamos 83230 m829 15,000 1,000 Numerical Study of Multiscale Lab Coupling in Low-Aspect Ratio Rotating Stratified Turbulence
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Lacis, Andrew NASA GISS 82996 m238 10,000 1,000 Theoretical Calculation of Water Vapor Continuum Absorption Lamarque, Jean- NCAR 82874 m330 150,000 50,000 Simulation of 20th-century Francois and 21st-century climate and composition with interactive chemistry in CAM3: identifying the role of climate and climate composition in simulated trends and air quality Lamb, Don U. Chicago 83236 m815 2,000,000 Validation Study of Fundamental Properties of Type Ia Supernovae Models Landman, Uzi Georgia Tech 82706 mp97 200,000 25,000 Quantum and classical simulations of clusters, self-assembly. nano-scale manupulations, nanotribology, and biological processes Langston, U. Tennessee 82761 m760 50,000 1,000 Scalable Computational Michael Methods for the Analysis of High-Throughput Biological Data Lany, Stephan NREL 83149 m777 15,000 1,000 Designing New Materials for Water Splitting from Solid Solutions of Semiconductor Compounds Leboeuf, Jean- U. Alaska 82851 m616 25,000 1,000 Gyrokinetic Studies of Non- Noel Diffusive Transport Lee, Byounghak Texas State U 83242 m943 15,000 2,000 Engineering Band Alignment in Oxide/Semiconductor Heterostructures Lee, Frank George Wash 82993 m102 350,000 500,000 Hadron Physics from Lattice Univ Quantum Chromodynamics Lee, Mal Soon Michigan 83273 m968 15,000 2,000 Nanostructured Composite State Materials for High Temperature Thermoelectric Energy Conversion Lee, T. S. Harry Jefferson Lab 82849 m615 350,000 1,000 Dynamical Coupled-channel Analysis of Nucleon Resonances at Excited Baryon Analysis Center Lee, Wei-li PPPL 82873 mp19 2,500,000 50,000 Turbulent Transport and Multiscale Gyrokinetic Simulation Lee, Xuhui NCAR 83079 m640 1,000,000 150,000 Influences of the Boundary Layer Flow on Vegetation-Air Exchanges of Energy, Water and Carbon Dioxide Lele, Sanjiva Stanford Univ 82868 m837 1,000,000 60,000 Simulations of turbulent flows with strong shocks and density variations Leng, Yongsheng George Wash 82903 m889 100,000 2,000 Multi-timescale molecular Univ simulation study of nanoconfined fluids, nanomechanics and self- assembly at organo-metallic interfaces Lester, William Berkeley Lab 82875 mp208 500,000 2,000 Quantum Monte Carlo for Electronic Structure of Molecules Lettenmaier, U. Washington 83311 m994 S 20,000 5,000 Susceptibility of Colorado Dennis River basin to megadroughts in a warming climate Li, Rui Jefferson Lab 83074 mp159 5,000 500 Effects of Coherent Synchrotron Radiation on Accelerator Performance and beam-beam simulations Li, Rui Jefferson Lab 83150 m728 77,000 1,500 Computer simulation studies of electron cooling and beam- beam interaction for the Electron-Ion Collider based on CEBAF Liang, Xin-Zhong U. Illinois 83324 m1006 200,000 50,000 Optimizing the Cloud-Aerosol- U-C Radiation Ensemble Modeling System Lin, Guang PNNL 83198 m920 S 15,000 1,000 Stochastic Analysis of Advection-Diffusion-Reaction Systems with Applications to Reactive Transport in Porous Media Lin, Guang PNNL 83222 m922 S 15,000 1,000 Northwest Consortium for Multiscale Mathematics and Application Lin, Yu Auburn Univ 82799 m206 30,000 1,000 Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Magnetic Reconnection in Harris Current Sheet Lin, Zhihong UC Irvine 82953 m808 1,750,000 100,000 SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulenc and Transport Liu, Da-Jiang Ames Lab 83135 m812 100,000 1,000 Analysis of energetics and kinetics of processes on metal surfaces (single- component crystals and multicomponent alloys) Liu, Feng U. Utah 83067 m284 150,000 1,000 Tuning of Band Gap and Charge Carrier Mobility by Strain Engineering and Mechanical Modification of Organic Semi-Conducting Molecules Liu, Feng U. Utah 83172 m850 300,000 1,000 Quantum Modulation of Surface Mass Transport and Controlled Growth of Nanoscale Metal Thin Films Liu, Keh-Fei U. Kentucky 82779 mp7 1,400,000 2,000,000 Lattice QCD Monte Carlo Calculation of Hadron Structure and Spectroscopy Liu, Ping Brookhaven 82739 m848 400,000 500 Computational studies of Lab supported nanoparticles in heterogeneous catalysis Long, Charles PNNL 82763 m726 80,000 100,000 Simulating the tropical cloud-climate interactions during the TWPICE experiment with the WRF model Louie, Steven Berkeley Lab 82731 mp149 400,000 20,000 Computation of Electronic Properties of Materials from First Principles Loveland, Walter Oregon State 82774 m136 15,000 200,000 Theoretical predictions for superheavy elements (SHE) using Relativistic Coupled- Cluster method Luk, Kam-Biu Berkeley Lab 82855 dayabay 1,000,000 Daya Bay Reactor Neutrino Experiment
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Ma, Chung-Pei UC Berkeley 83056 m289 25,000 2,000 Evolution of Massive Galaxies and Black Holes Ma, Kwan-Liu UC Davis 83233 m842 S 15,000 3,000 Ultrascale Visualization Majumdar, UC Berkeley 83296 m982 S 15,000 2,000 Carbon dioxide capture by Arunava photoactivated organometallic complexes Makino, Kyoko Michigan 83167 m509 385,000 50,000 Modern Map Methods in State Particle Beam Physics Manovich, Lev UC San Diego 83208 m860 250,000 90,000 Visualizing Patterns in Databases of Cultural Images and Video Manson, Steven Georgia State 82818 m497 10,000 2,000 Inner and Outer Shell Photoabsorption by Positive and Negative Ions and Neutral Atoms Maranas, Costas Penn State 83357 m1011 S 5,000 1,000 Development of Computational Tools for Metabolic Model Curation, Flux Elucidation and Strain Design Marques, Osni Berkeley Lab 83000 m340 10,000 1,000 Installation, Testing and Evaluation of ACTS Tools Mascarenhas, NREL 82976 mp306 20,000 5,000 Electronic structure of non- Angelo conventional semiconductor alloys and nanostructures Masunov, Artem U. Central 82937 m513 75,000 1,000 Design of nonlinear optical Florida materials with enhanced two- and three-photon absorbing properties Masunov, Artem U. Central 83274 m966 S 15,000 1,000 Simulation of catalitic Florida activity for Ceria Nanoparticles and computer assisted design of engineered nanoparticles for optimized performance Masunov, Artem U. Central 83291 m977 15,000 1,000 Molecular Dynamics Florida simulations of the small molecule effect on amyloid disaggregation Masunov, Artem U. Central 83307 m990 15,000 5,000 Prediction of heisenberg Florida exchange constant for molecular magnet and other transition metal complexes using DFT+U Masunov, Artem U. Central 83308 m991 15,000 2,000 Density Functional Theory Florida Study of oxygen vacancy migration and clustering in Barium/Strontium Ferrate/Cobaltate, promising material for oxygen membranes and intermediate temperature Solid Oxide Fuel Cell Cathodes Masunov, Artem U. Central 83724 m1019 S 15,000 1,000 Drug-DNA Intercalation Florida Interaction energies: Hybrid QM/MM/MD Simulations Study Mavrikakis, U. Wisc. 82991 mp351 1,200,000 1,000 First-Principles Catalyst Manos Madison Design for Environmentally Benign Energy Production McAdams, Harley Stanford Univ 83218 m926 S 15,000 1,000 Computational Prediction of Transcription Factor Binding Sites McAdams, Harley Stanford Univ 83219 m927 S 15,000 1,000 Identification of novel RNA transcripts and their expression profiles using custom-tiled Affymetrix microarrays McCurdy, C. Berkeley Lab 83086 mp74 100,000 2,000 Electron and Photon William Collisions with atoms and molecules Medvedeva, Julia MO Univ of 83438 m1013 15,000 1,000 Transparent conductive Science and materials for energy-related Te applications Mei, Donghai PNNL 82905 m752 700,000 1,000 Computational Studies on the Reactivity, Reaction Mechanism and Kinetics of Catalytic Systems Mei, Donghai PNNL 82929 m761 30,000 500 First principles based modeling of substrate effect on reactivity of supported transition metal oxide catalysts Menon, Surabi Berkeley Lab 83050 m464 30,000 1,000 Cloud Physics Parameterizations for arctic stratus and convective cloud systems Mezzacappa, Oak Ridge 83186 m764 1,950,000 185,000 Multidimensional Simulations Anthony of Core Collapse Supernovae Mikkelsen, David PPPL 82792 m64 500,000 10,000 Experimental Tests of Gyrokinetic Simulations of Microturbulence Militzer, UC Berkeley 83174 m744 200,000 500 First-principles simulation Burkhard of dense, water, oxygen, and hydrogen at high pressure Miller, Doug UNC Asheville 83060 m550 20,000 20,000 Forecasting Coupled Meteorology and Air Quality at Very High Resolutions, Phase 3: Direct and Indirect Effects of Aerosols in Western North Carolina Miller, Thomas Cal Tech 83128 m822 50,000 40,000 Sampling diffusive dynamics on long timescales, and simulating the coupled dynamics of electrons and nuclei Miller, William UC Berkeley 83082 mp14 160,000 500 Semiclassical approaches for condensed matter dynamics and for molecular reaction dynamics Mori, Warren UCLA 82912 mp113 385,000 60,000 continuing studies of plasma based accelerators Mori, Warren UCLA 83147 m412 150,000 25,000 Investigations of fast ignition physics and extreme states of matter Mori, Warren UCLA 83217 incite14 I 4,600,000 50,000 Petascale Particle-in-Cell Simulations of Plasma Based Accelerators Moriarty, Nigel Berkeley Lab 83275 m967 S 15,000 2,000 Comparison of ultra-low resolution X-ray diffraction electron density with theoretical calculations Morris, James Oak Ridge 82880 m435 40,000 2,000 Atomistic modeling of novel alloy behavior Msezane, Alfred Clark Atlanta 83199 m911 S 15,000 1,000 Electron/Photon Interactions Univ with Atoms/Ions Muckerman, James Brookhaven 83055 m783 500,000 1,000 Computational Studies at BNL Lab of the Chemistry of Energy Production and Use Muggli, Patric U. South 82935 mp275 15,000 1,000 Program for Plasma-Based California Concepts for Future High- Energy Accelerators Mundy, PNNL 82841 m452 1,000,000 5,000 Novel density functional Christopher theory approaches to the statistical mechanics of hydrogen bonded systems
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Najm, Habib Sandia Lab CA 82944 m401 50,000 1,000 A Computational Facility for Reacting Flow Science Najm, Habib Sandia Lab CA 83148 m914 50,000 1,000 Computations of Reacting Flow with Detailed Kinetics Neaton, Jeffrey Berkeley Lab 82846 m387 700,000 50,000 Theory of nanostructured materials Negele, John MIT 82830 mp133 500,000 175,000 Exploration of Hadron Structure using Lattice QCD Nelson, Brian U. Washington 82866 m489 250,000 5,000 The Plasma Science and Innovation Center Nelson, Brian U. Washington 83072 m172 75,000 1,000 Helicity Injected Torus Current Drive and Compact Toroid Studies Nemeth, Karoly Argonne 83011 m634 1,880,000 90,000 Parallel Computation for Laser Plasma Interactions at Relativistic Intensities Nemeth, Karoly Argonne 83301 m986 S 15,000 5,000 Reverse Monte Carlo Simulations for Very Large Disordered Systems Newman, Gregory Berkeley Lab 82863 m372 1,500,000 1,000 Large Scale 3D Geophsycial Inversion & Imaging Ng, Cheuk-Yiu UC Davis 82766 m319 20,000 500 State-of-the-Art ab initio Calculations of Energetics and Spectroscopic Properties of Molecular Neutrals/Cations/Radicals for Comparison with Highly Accurate Experimental Measurements Ng, Esmond Berkeley Lab 82992 mp127 100,000 3,000 High Performance Sparse Matrix Algorithms Nolen, Jerry Argonne 83111 mp362 515,000 150,000 Radioactive Beam Facilities - Target, Shielding, Fragment Separators and Accelerator Studies Norgaard, Peter Krell 83283 m971 S 15,000 500 Direct numerical simulation Institute of MPDT propulsive plasmas using the SEL and HiFi codes Notaro, Michael U. Wisc. 82828 m731 200,000 120,000 Ecosystem response to future Madison climate change and the impact of vegetation feedback in the Southwest United States Nozik, Arthur NREL 82771 m72 50,000 1,000 Experimental and Theoretical Studies of Semiconductor Systems for Improved Solar Energy Technologies Nugent, Peter Berkeley Lab 82978 m779 20,000 600,000 Baryon Oscillation Spectroscopic Survey Nugent, Peter Berkeley Lab 83231 m937 36,000 1,000,000 Palomar Transient Factory Nugent, Peter Berkeley Lab 83753 m1052 S 20,000 100,000 La Silla Supernova Search
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Oberacker, Vanderbilt 83300 m985 S 10,000 1,000 TDHF and DCTDHF calculations Volker Univ of heavy-ion fusion reactions involving neutron-rich nuclei Odyniec, Grazyna Berkeley Lab 82856 gc5 ppdg 5,000,000 STAR Detector Simulations and rhstar Data Analysis staremb Oefelein, Joseph Sandia Lab CA 83041 m295 2,500,000 6,000 Large Eddy Simulation of Turbulence-Chemistry Interactions in Reacting Multiphase Flows Ogut, Serdar U. Illinois 82870 m567 60,000 10,000 Electronic and optical Chicago properties of transition metal clusters and organic dyes Oliker, Leonid Berkeley Lab 82881 m650 50,000 10,000 Scientific Application Performance on Candidate PetaScale Platforms Orginos, Kostas William & 82930 m762 1,400,000 50,000 Electromagnetic properties of Mary resonances. Ozolins, Vidvuds UCLA 83386 m1009 15,000 2,000 Quantum Prediction of Advanced Hydrogen Storage Materials.
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Pankin, Alexei Lehigh Univ 83799 m1043 20,000 4,000 Modeling of tokamak plasmas with large scale instabilities Parvin, Bahram Berkeley Lab 83073 m823 S 1,000 600,000 Mechanism of DNA Damage and Repair Nuclear Imaging of Gene Expression Patton, Edward NCAR 83168 m917 600,000 100,000 Impact of vegetation on turbulence over complex terrain: a wind energy perspective Penner, Joyce U. Michigan 82956 mp231 42,000 67,000 Three-dimensional Global Atmospheric Aerosol and Chemistry Modeling Pennycook, Oak Ridge 83117 mp221 200,000 5,000 Numerical Simulations of Stephen Interfaces, Grain Boundaries, and Nanocrystals Perlmutter, Saul Berkeley Lab 83095 deepsrch 400,000 Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Perlmutter, Saul Berkeley Lab 83169 m219 250,000 170,000 SNAP Simulation and Analysis snap Peter, William Johns Hopkins 83226 m933 S 15,000 500 Computational Performance of Univ a Massively Parallel 3-D Finite Difference Code for Acoustic/Elastic Wave Modeling Phillips, U. Michigan 83200 m857 S 15,000 1,000 Impact of polydispersity on Carolyn the phase diagram of the tethered nanoparticle system Pieper, Steven Argonne 82865 mp26 187,000 10,000 Exact Calculations of Light Nuclei, Nucleonic Matter and Electroweak Interactions Using Realistic Interactions Pindzola, Auburn Univ 82713 m41 1,500,000 20,000 Computational Atomic Physics Michael for Fusion Energy Plewa, Tomasz Florida State 83151 m461 350,000 400,000 Thermonuclear Supernovae: Stellar Explosions in Three Dimensions Poon, Alan Berkeley Lab 83313 snodata 200,000 Storage for Sudbury Neutrino Observatory (SNO) data Poppitz, Erich U. Toronto 83225 m858 S 15,000 500 Lattice Chiral Gauge Theory Canada and Decoupling of Mirror Fermions Pordes, Ruth Fermilab 82948 m670 osg 125,000 100,000 Extending the Open Science Grid Pothen, Alex Purdue Univ 83002 m872 50,000 5,000 CSCAPES Institute: Parallel Graph Matching Algorithms Pratt, Larry Fisk Univ 83227 m936 150,000 500 Computational Studies of Lithium Carbenoid Reaction Mechanisms and Structure, Bonding, and Reactivity of Other Organolithium Compounds in CPME Pratt, Larry Fisk Univ 83378 m1008 S 10,000 500 Class in Computational Chemistry Primack, Joel UC Santa Cruz 83080 mp363 85,000 180,000 Galaxy Formation Simulations Prinz, Fritz Stanford Univ 83121 m622 200,000 500 Investigating quantum dots for high efficiency fourth generation photovoltaic Pritchett, UCLA 82759 mp28 50,000 50,000 Fusion Plasma Modeling Using Philip 3-D Particle-In-Cell Simulations at UCLA Pu, Han Rice Univ 82902 m918 15,000 500 Phase diagram for polarized ultra-cold fermi gases in higly elongated harmonic traps Puliti, Gianluca U. Notre Dame 83210 m930 S 15,000 2,000 Molecular Dynamic Investigation of Thermodynamic and Transport Properties of Useful Nanofluids Puzyrev, Vanderbilt 83315 m1022 S 15,000 500 Structure and spectroscopy Yevgeniy Univ simulations
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Qiang, Ji Berkeley Lab 83216 incite18 I 800,000 10,000 Beam Delivery System Optimization for X-Ray Free Electron Lasers
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Rajopadhye, Colorado 83084 m853 S 10,000 500 Introduction to Parallel Sanjay State Processing (Education) Ram, Abhay MIT 83124 m224 200,000 6,000 Computational studies in plasma physics and fusion energy Randall, David Colorado 83153 m328 2,000,000 30,000 Global cloud modeling State Rashkeev, Sergey Idaho 82749 m647 50,000 1,000 Numerical Simulations of National Lab Defects and Chemical Reactions at Surfaces and Interfaces Ratcliff, Jay Army Engineer 83187 m566 150,000 20,000 Coastal Storm Surge Analyses Center and Impacts from Global Climate Change Rauchwerger, Texas A&M 82968 m493 10,000 500 SmartApps: Middle-ware for Lawrence Univ Adaptive Applications on Reconfigurable Platforms Ray, Asok U. Texas 83103 m701 150,000 1,000 A Fully Relativistic Density Arlington Functional Study of the Role of 5f Electrons in Chemical Bonding in Transuranium Elements Reboredo, Oak Ridge 82889 m337 50,000 10,000 Many body Calculations in Fernando Nanomaterials, Small Molecules and Model Systems Rehr, John U. Washington 83090 mp313 25,000 1,000 High Performance Computation of Photon Spectroscopies and Electronic Excited States Reichler, Thomas U. Utah 83070 m730 5,000 100,000 Dynamics and Variability of the Coupled Stratosphere- Troposphere System Ren, Chuang U. Rochester 83005 m792 60,000 1,000 Study of laser-plasma interactions relevant to direct-drive ICF implosions Ren, Chuang U. Rochester 83134 incite15 I 1,000,000 40,000 Three-Dimensional Particle- in-Cell Simulations of Fast Ignition Richards, Mark UC Berkeley 83201 m880 S 15,000 1,000 Mantle Convection with Strong Viscosity Variations using Citcom Rinke, Patrick UC Santa 82744 m856 S 15,000 2,000 First principles Barbara characterization of materials for photovoltaics and energy efficient lighting Rinke, Patrick UC Santa 83213 m934 250,000 5,000 First principles modeling of Barbara InGaN alloys for applications in LEDs and photovoltaics Risbud, Sumedh Johns Hopkins 83271 m972 100,000 2,200 Transport of finite size Univ particles in ordered and disordered arrays of obstacles Roe, Natalie Berkeley Lab 83298 ccd 50,000 Backup Storage for MicroSystems Laboratory CCD Database Rogers, Barrett Dartmouth 82883 m841 200,000 3,000 Gyrokinetic Simulations of College Fusion Plasmas Rollett, Tony Carnegie 82836 mp262 100,000 3,000 Microstructural Evolution Mellon Based on Fundamental Interfacial Properties: a DOE sponsored Computational Materials Science Network Romanowicz, UC Berkeley 82901 m554 200,000 1,000 Calibration of 3D Upper Barbara Mantle Structure in Eurasia Using Regional and Teleseismic Full Waveform Seismic Data Rosner, Robert U. Chicago 83202 m869 S 15,000 1,000 Parameter Studies of Rayleigh-Taylor Unstable, Boussinesq Flames using NEK5000 Rossi, Angelo City College 83203 m886 S 15,000 1,000 Excited States of Organic NY Molecules in Solution Rubin, Edward JGI 82969 m342 10,000 2,000,000 Optimizing Genomic Data Storage for Wide Accessibility Rubin, Yoram UC Berkeley 83250 m950 200,000 10,000 Development of Numerical Geostatiscal Inversion Code Under the Integrated Field Research Challenge Project at the Hanford 300 area Ryne, Robert Berkeley Lab 82977 m669 130,000 10,000 Frontiers in Accelerator Design: Advanced Modeling for Next-Generation BES Accelerators
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Saad, Yousef U. Minnesota 83189 m684 50,000 10,000 Pseudopotential Algorithm for Real Space Electronic Calculations Salahuddin, UC Berkeley 83247 NEST S 15,000 2,000 Massively parallel quantum Sayeef m946 transport simulation of nano scale electronic devices for ultra low power computing Sallerson, Amber UNC Chapel 83204 m845 15,000 1,000 Simulating Multiphase Hill Transport Phenomena in Porous Medium Systems Using Lattice- Boltzmann Methods Saravanan, Texas A&M 82867 m788 50,000 20,000 High-resolution Coupled Ramalingam Univ Regional Climate Modeling in the Atlantic Savage, Martin U. Washington 82922 m747 5,400,000 225,000 Hadron-Hadron Interactions with Lattice QCD Saykally, UC Berkeley 82847 m696 1,000,000 50,000 X-ray Absorption Spectra of Richard Aqueous Solutions from First Principles Calculations Schaefer, Henry U. Georgia 82890 m170 120,000 500 Computations of Properties to Chemical Accuracy Scheibe, Timothy PNNL 82891 m749 700,000 20,000 Hybrid Numerical Methods for Multiscale Simulations of Subsurface Biogeochemical Processes Schiavilla, Jefferson Lab 82894 m69 12,000 1,000 Electroweak Structure of Rocco Light Nuclei Schnetter, Erik Louisiana 83019 m152 175,000 19,000 Physics of Binary Black Hole State Mergers Schuchardt, PNNL 82721 m873 750,000 155,000 Development and Test of an IO Karen API for the Global Cloud Resolving Model Schuech, Rudi UC Berkeley 83323 m1030 S 20,000 5,000 Sampling Performance of Bio- inspired Sensor Arrays Schultz, David Oak Ridge 82715 mp48 200,000 3,000 Theoretical Atomic Physics for Fusion Energy Selloni, Princeton 82885 m836 100,000 500 Theoretical Research Program Annabella Univ on Bio-inspired Inorganic Hydrogen Generating Catalyst and Electrodes Selloni, Princeton 83244 m944 100,000 1,000 Water adsorption on TiO2 Annabella Univ surfaces Shalf, John Berkeley Lab 82843 m888 50,000 1,000 Science Driven System Architecture: Benchmarking and Autotuner Development Shang, Shunli Penn State 83062 m679 40,000 20,000 First-principles investigations of phonon and mechanical properties of Ni- based alloys Shay, Michael U. Delaware 83031 m733 75,000 12,000 Kinetic Physics of Magnetic Reconnection Shigemitsu, Ohio State 82827 mp268 60,000 100,000 Heavy-Light Physics with Junko NRQCD Heavy and Improved Staggered Light Quarks Shoshani, Arie Berkeley Lab 83292 m978 15,000 100 Using the Adaptable I/O System (ADIOS) to improve I/O performance on the CHOMBO base code. Shoshani, Arie Berkeley Lab 83546 sdmstor 500,000 Storage for the Scientific Data Management Research Group Simon, Horst Berkeley Lab 82886 mphpcrd 5,000 1,700,000 CRD High Performance Computing Research Department Guest Accounts Simon, Horst Berkeley Lab 83237 mp309 S 50,000 2,000 Class Account for UCB CS267 / CS194 "Applications of Parallel Computing" Sinclair, Donald Argonne 82764 mp27 6,550,000 80,000 Lattice Gauge Theory Simulations Skinner, David Berkeley Lab 83249 m947 10,000 1,000 SciDAC Outreach Center Projects Smit, Berend UC Berkeley 83235 m979 15,000 100 Computational Characterization of Porous Materials Smith, Jeremy Oak Ridge 83065 m906 1,500,000 100,000 Molecular Dynamics Simulations in Bioenergy, Bioremediation and Protein Dynamics. Smoot, George Berkeley Lab 82998 astrogfs 9,000 Large Astrophysical Data Sets: Data analysis and simulation of astro-physical neutrinos, dark matter and dark energy in AMANDA, IceCube and SNAP Snurr, Randall Northwestern 82740 m538 40,000 500 Modeling Metal-Organic Frameworks for Hydrogen Storage, Separations, and Catalysis Sosonkina, Masha Ames Lab 82805 m419 25,000 1,000 Interoperable software for modern high-performance applications Souza, Ivo UC Berkeley 82940 m755 25,000 500 Magnetic and optical properties of solid and liquid metals from first- principles Sovinec, Carl U. Wisc. 82738 mp200 400,000 12,000 Fluid and Hybrid Modeling of Madison Electromagnetic Activity in MFE Plasmas Spentzouris, Fermilab 83028 m778 780,000 30,000 Community Petascale Project Panagiotis for Accelerator Science and Simulation Spera, Frank UC Santa 82783 m178 80,000 6,000 Large-Scale Molecular Barbara Dynamics of Geomaterials: The Glass Transition, Nanoscale Structure and effects of Water on Molten Silicate Properties at High-Pressure, and Applications to Earth and Planets Spong, Don Oak Ridge 82793 mp202 90,000 9,000 Plasma Confinement, Stability, Heating and Optimization in Stellarators and Tokamaks Sposito, Berkeley Lab 82751 mp47 200,000 20,000 Clay Mineral Surface Garrison Geochemistry Sprangle, Naval 83027 mp343 200,000 500 High Energy Laser-Driven Phillip Research Lab Acceleration Based on the Laser Wakefield Accelerator Stocks, G. Oak Ridge 82800 m641 1,700,000 15,000 Computational Materials Malcolm Theory Striolo, Alberto U. Oklahoma 82892 m530 200,000 500 Aqueous Electrolyte Solutions at Solid-Fluid Interfaces Striolo, Alberto U. Oklahoma 82893 m751 50,000 500 Intelligent Simulation- Assisted Catalyst Design Striolo, Alberto U. Oklahoma 82950 m894 100,000 500 Enhancing the heat-transfer properties of working fluids via the intercalation of graphene sheets Strohmaier, Berkeley Lab 82939 m283 100,000 1,000 Performance Characterization Erich and Benchmarking of HPC Systems
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Tainer, John Berkeley Lab 83021 m870 S 15,000 500 Solution structure modeling for small angle X-ray scattering Tang, Xianzhu Los Alamos 83143 m139 75,000 1,000 Nonlinearly implicit MHD and Lab two-fluids simulation of fusion plasmas Tang, Xianzhu Los Alamos 83145 mp204 100,000 2,000 nonlinear studies of Lab magnetically confined plasmas Thakur, U. Delaware 83107 m915 150,000 500 DMRG approach for large scale Bhupender nuclear structure calculations. Thirumalai, Dave U. Maryland 83171 m704 100,000 500 Understanding function of biological nanomachines Tillett, Jason U. Rochester 82784 m799 50,000 500 Large Scale Bio-acoustic Propagation Simulator Tokmakian, Robin Naval PS 83035 m528 60,000 3,000 Decadal to century coupled ocean/ice simulations at high resolution (0.20) Toussaint, Doug U. Arizona 82794 mp13 10,090,00 50,000 Quantum Chromodynamics with three flavors of dynamical quarks Townsley, Dean U. Arizona 83234 m939 S 15,000 5,000 Pilot Study of Thermonuclear Supernova Simulations on NERSC Resources Tysinger, Thomas Ansys, Inc. 83053 m904 500,000 35,000 Tuning an Industrial CAE Code for Scaling on 1000s of Processor Cores Tyson, Trevor New Jersey IT 83162 m805 50,000 10,000 Constrained Structural Optimization of Complex Metal Oxides
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Umstadter, U. Nebraska 83241 m942 200,000 20,000 Laser-driven electron Donald Lincoln accelerator and x-ray photon source
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Vahala, George William & 82925 mp32 350,000 160,000 Lattice Boltzmann Simulations Mary for Plasmas Van Straalen, Berkeley Lab 83849 m1058 250,000 10,000 Health Application for ParLab Brian research into Multicore architectures Van de Walle, UC Santa 83190 m892 200,000 5,000 Computational Studies of Chris Barbara Hydrogen Interactions with Storage Materials Varga, Kalman Vanderbilt 83262 m957 S 15,000 2,000 First-principles electronic Univ structure calculations Vary, James Iowa State 82955 m94 1,000,000 100,000 Structure and Reactions of Hadrons and Nuclei; Non- perturbative Solutions of Strongly Interacting Particles and Fields Veilleux, Cornell Univ 83256 m952 15,000 2,000 Explicit finite element Michael simulation of microstructurally small fatigue crack propagation in aluminum alloy 7075-T651 Verdier, NERSC 83047 noexp 10,000 700,000 NERSC overhead account for Francesca norepo users with no active repo Vertes, Akos George Wash 83221 m928 S 15,000 1,000 Molecular Dynamics of Soft Univ Ionization Methods and Osmosensors Vladimirova, U. Chicago 82872 m867 S 15,000 2,000 Rayleigh-Taylor (RT) unstable Natalia flames: adapting Nek5000 code for fundamental studies of reactive turbulence in RT-unstable flames.
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Waltz, Ronald General 82760 mp94 300,000 50,000 Simulation of Magnetically Atomics Confined Fusion Plasmas Wang, Cai-Zhuang Ames Lab 82959 m769 100,000 1,000 Ab initio molecular dynamics simulation of metallic liquid and glass Wang, Guofeng Indiana Univ 83325 m1001 S 20,000 4,000 Theoretically relating the surface composition of Pt alloys to their performance as the electrocatalysts of low-temperature fuel cells Wang, Haobin New Mexico 82753 m93 800,000 500 Quantum Dynamical Study of State Charge and Energy Tranfer Processes in the Condensed Phase Wang, Jianwei U. Michigan 83252 m951 S 15,000 500 Energetics of defect formation in Gd2Ti2O7 and Gd2Zr2O7 pyrochlore Wang, Jun U. Central 82787 m827 50,000 500 A Lightweight, High- Florida performance I/O Management Package for Data-intensive Computing Wang, Lin-Wang Berkeley Lab 82837 mp304 900,000 200,000 Large scale nanostructure electronic structure calculations Wang, Yi Penn State 82879 m891 250,000 800 Spin-lattice Coupling in Magnetic Phase Transition Ware, Andrew U. Montana 82840 mp205 25,000 2,000 Theory of Turbulent Heat and Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators Washington, NCAR 83014 mp9 12,000,00 2,000,000 Climate Change Simulations Warren with CCSM: Moderate and High Resolution Studies Weber, William PNNL 82915 mp148 50,000 1,000 Defects, Defect Processes, and Ion-Solid Interactions in Ceramics Wei, Suhuai NREL 82770 mp252 500,000 2,000 Doping bottleneck, van der Waals interaction, and novel ordered alloy Weinert, Michael U. Wisc. 83066 mp330 100,000 1,000 Electronic Structure of Milwaukee Alloys, Surfaces, and Nanostructures Weitzner, Harold New York Univ 82789 mp338 50,000 1,000 Advanced Toroidal Theory and Computation Wellein, Gerhard RRZ Erlangen 83238 m635 5,000 500 Application Performance Germany Characteristics of Leading Edge Supercomputers Wen, Zhaofang Sandia Lab NM 83173 m407 15,000 500 BEC library for Unified Parallel C Wereszczynski, UC San Diego 83819 m1056 S 20,000 1,000 Simulations of Enzymatic Jeff Functions in Energy and Oxygen Transport and Regulation Werthimer, Dan UC Berkeley 82857 seti S 1,000 1,800,000 Berkeley High Resolution Neutral Hydrogen Sky Survey Whangbo, Myung North 83220 m929 75,000 500 Band Electronic Structures Carolina and Crystal Packing Forces State White, Martin UC Berkeley 82737 m68 60,000 75,000 Constraining dark energy with clusters of galaxies Whiteson, Daniel UC Irvine 83178 atlasuci 5,000 ATLAS Simulation at UC Irvine Wilkins, John Ohio State 82729 mp160 3,000,000 1,000 Modeling Dynamically and Spatially Complex Materials Wirth, Brian UC Berkeley 83160 m916 75,000 20,000 Ab-initio modeling of the energetics and structure of nanoscale Y-Ti-O cluster precipitates in ferritic alloys Woodruff, Simon Woodruff 82750 m633 40,000 20,000 Simulations of the Formation, Scientific Compression and Merging of LLC Compact Tori Woosley, Stan UC Santa Cruz 82707 m106 1,550,000 90,000 Computational Astrophysics Consortium Wu, Jianzhong UC Riverside 82716 m618 200,000 5,000 Atomic density functional theory for crystal nucleation and growth Wu, Meng-Shiou Ames Lab 82958 m664 25,000 5,000 Computational Quality of Service for Chemistry Software Wu, Ruqian UC Irvine 82946 mp244 400,000 1,000 First Principles Investigations and Simulations for Catalytic Properties of Metal/Oxide Surfaces Wu, Ruqian UC Irvine 82947 m532 200,000 1,000 First Principles Exploration for the Origin of Ferromagnetism in Diluted Magnetic Semiconductors Wuebbles, Donald U. Illinois 82994 mp79 200,000 500,000 Parallel modeling of climate, U-C chemistry, and physics affecting the global atmosphere
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Xiang, Nong U. Colorado 82788 m863 50,000 20,000 Simulations of electron Boulder Bernstein waves in a three- dimensional geometry
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Yan, Yanfa NREL 82895 m721 100,000 1,000 Theory of metal oxides for potential applications of PEC water spliting Yang, Chao Berkeley Lab 83097 m653 50,000 1,000 Three-dimension Image Reconstruction of Macromolecular Assemblies from Cryo-EM Data Yao, Weiming Berkeley Lab 83078 cdf 30,000 Physics Analysis of CDF fermi (Collider Detector at Fermilab) Data Yelick, Berkeley Lab 82718 mpnersc 20,000 5,000 NERSC Division Guest Accounts Katherine Yelick, Berkeley Lab 83170 mp215 20,000 3,000 UPC, CAF and Titanium Katherine Young, A. Peter UC Santa Cruz 83257 m953 S 50,000 1,000 Performance of a complete adiabatic quantum algorithm on a spin glass instance class Yu, Hua-Gen Brookhaven 82795 m881 50,000 3,000 High dimensional quantum Lab dynamics studies of molecular spectroscopy Yunn, Byung Jefferson Lab 83118 m216 77,000 500 Accelerator Physics Studies of Applications of Superconducting Linacs
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Zapol, Peter Argonne 83158 m441 20,000 1,000 Soft/hard interfaces in nanomaterials Zapol, Peter Argonne 83159 m548 15,000 500 Computational studies of Electrocatalysis for Low Temperature Fuel Cell Cathodes Zhang, Bin Arkansas 82861 m688 30,000 2,000 Dynamics of Relativistic State Heavy Ion Collisions Zhang, Guoping Indiana St U 82772 m713 1,000,000 3,000 Ultrafast magnetization in ferromagnets Zhang, Zhenyu Oak Ridge 82974 m781 200,000 1,000 First principles studies of optimal dopant control via n- p copdoing Zhang, Zhenyu Oak Ridge 83025 m108 300,000 1,000 First principles studies of hydrogen storage on light element based nanostructures and quantum metal alloys. Zheng, Linjin U. Texas 82981 mp77 50,000 3,000 Comprehensive modeling and Austin transport studies at the Institute for Fusion Studies Zhong, Xiaolin UCLA 83348 m1005 S 15,000 5,000 Direct numerical simulation of shock and turbulence interaction in high speed flows with shock-fitting algorithms. Zhu, Ping U. Wisc. 82826 m572 75,000 15,000 MHD Modeling of Nonlinear Madison Ballooning Instabilities in Fusion and Space Plasmas Zhu, Ping Florida 83284 m973 15,000 2,000 Multiple-scale simulation of Interntl Univ boundary layer clouds using WRF Ziegler, Jack Cal Tech 83302 m987 S 15,000 5,000 3D High Order Diffusive Gas Detonations Zunger, Alex NREL 82980 m346 1,000,000 2,000 Predicting the electronic Properties of 3D, Milion-Atom Semiconductor Nanostructure Architectures Zunger, Alex NREL 83017 mp70 1,000,000 1,000 Computational Semiconductor Physics Zunger, Alex NREL 83119 m790 100,000 1,000 Computational modeling and design of new materials for photovoltaics Zyla, Piotr Berkeley Lab 83125 pdg 14,000 Particle Data Group Zyla, Piotr Berkeley Lab 83140 e871 225,000 HyperCP (FNAL E871)