NERSCPowering Scientific Discovery Since 1974

2010 Initial Allocation Awards

2010 Allocations Awards

The following table lists the allocation awards for NERSC for the 2010 allocation year (Jan 12, 2010 through Jan 10, 2011). 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
'E' Education
'A' ALCC 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
Abbeel, Pieter UC Berkeley 83916 c1100 S 15,000 2,000 Neural Circuit Reconstruction m1100 Adams, Paul Berkeley Lab 83519 c811 500,000 20,000 The Joint Bioenergy Institute m811 (JBEI) Adams, Paul Berkeley Lab 83762 jbei 600,000 JBEI Archive Agarwal, Deborah Berkeley Lab 83333 cdsd 5,000 120,000 CRD Advanced Computing for mpdsd Science Department Guest Accounts Agarwal, Deborah Berkeley Lab 83788 c510 5,000 150,000 Berkeley Water Center m510 Al-Jassim, NREL 83448 cd308 20,000 5,000 Theoretical simulations of Mowafak mp308 effects of extended and point defects on the properties of advanced PV materials Aldering, Greg Berkeley Lab 83679 c112 100,000 2,000,000 The Nearby Supernova Factory m112 snfactry Alexandrov, UC Davis 83912 c1090 S 15,000 2,000 Computational modeling of Vitali m1090 complex oxides for nuclear- energy and energy-storage applications Alhassid, Yoram Yale Univ 83743 cd69 300,000 1,000 Statistical Many-Body Studies mp69 of Nuclei and Quantum Dots Alvioli, Penn State 83918 c1097 S 5,000 1,000 Comparative performance of Massimiliano m1097 scientific applications in cloud computing and traditional cluster or supercomputing environments. Andricioaei, UC Irvine 83688 c739 1,000,000 15,000 Energetics and Dynamics of Ioan m739 Proteins, Nucleic Acids and their complexes Annamalai, Hanna U. Hawaii 83517 c774 800,000 5,000 Future Projections of Mean m774 and Variability of the Asian summer monsoon and Indian Ocean climate system Antypas, Katie Berkeley Lab 83833 chpcd 10,000 1,000 NERSC High Performance mphpcd Computing Department Training Accounts Arienti, Marco Untd Tech Crp 83611 c945 150,000 500 Multiscale/multiphase Resrch Ctr m945 research for first-principles fuel atomization calculation Arons, Jonathan UC Berkeley 83734 c677 300,000 20,000 Particle acceleration in m677 astrophysical collisionless shocks Aspuru-Guzik, Harvard Univ 83623 c702 25,000 5,000 Computational design of novel Alan m702 organic photovoltaic materials with improved hole- and electron-transport properties. Asthagiri, Dilip Johns Hopkins 83737 c983 100,000 1,000 Effect of glycosylation on Univ m983 gating of K+ channels
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Babikov, Dmitri Marquette 83487 c409 29,000 5,000 Coherent Control of the Univ m409 Ground Electronic State Molecular Dynamics Bagchi, Rutgers Univ 83860 c1061 S 15,000 1,000 Massively large-scale Prosenjit m1061 simulations to study dynamics of dense suspension of deformable particles using immersed boundary methods Bai, Zhaojun UC Davis 83798 c746 5,000 500 Next Generation Multit-Scale m746 Quantum Simulation Software for Strongly Correlated Materials Bailey, David Berkeley Lab 83431 c207 20,000 1,000 Experimental Mathematics and mp207 High-Precision Software Bailey, David Berkeley Lab 83446 c88 m88 65,000 10,000 The Performance Engineering Research Institute Bailey, David Berkeley Lab 83928 c1109 S 25,000 1,000 A Mathematical and Data- m1109 Driven Approach to Intrusion Detection for High- Performance Computing Balasubramanian, CSU East Bay, 83406 c719 150,000 500 Electronic Structure of Krishnan Hayward m719 Transition Metal Clusters and Environmental Actinide Complexes Balbuena, Perla Texas A&M 83661 c668 50,000 1,000 Catalyzed growth of carbon Univ m668 nanotubes Balbuena, Perla Texas A&M 83668 c249 1,000,000 1,000 Computational chemistry Univ m249 search of efficient catalysts Balch, Alan UC Davis 83866 c1062 15,000 1,000 Fullerene Surface Potentials m1062 Bansil, Arun Northeastern 83426 c225 200,000 15,000 Correlation Effects, m225 Magnetism, and Spectroscopy of Complex Materials, including Nanosystems Baron, Edward U. Oklahoma 83402 c90 mp90 600,000 30,000 Synthetic Spectra of Astrophysical Objects Bass, Steffen Duke Univ 83984 c1134 S 15,000 10,000 Large scale modeling of m1134 ultra-relativistic heavy-ion collisions Batchelor, Don Oak Ridge 83693 c876 2,000,000 65,000 Center for Simulation of Wave m876 Interactions with MHD Batista, Victor Yale Univ 83803 c311 100,000 1,000 Simulations of electron-hole mp311 relaxation dynamics on functionalized TiO2-anatase surfaces Batista, Victor Yale Univ 83804 c410 17,000 1,000 QM/MM Studies of High-Valent m410 Manganese Complexes Behling, Pat U. Wisc. 83692 c285 100,000 100,000 Towards the prediction of Madison m285 decadal to mult-century processes in a high- throughput climate system model Bell, John Berkeley Lab 83527 c111 2,543,000 7,000,000 Simulation and Analysis of mp111 Reacting Flows Benedek, Roy Argonne 83400 c169 44,000 1,000 First Principles Calculations mp169 for Lithium-Ion Battery Electrodes and Electrode Coatings Berg, Bernd Florida State 83458 c839 220,000 10,000 Deconfined Phase in small m839 Volumes with Cold Boundary Conditions Bergmann, Dan Livermore Lab 83625 c163 30,000 50,000 Atmospheric Formation, mp163 Transformation, and Radiative Forcing of Secondary Organic Aerosols Bern, Zvi UCLA 83643 c938 500,000 1,000 Precision multiparticle m938 calculations for the LHC Bethel, Edward Berkeley Lab 83553 c636 450,000 250,000 SciDAC2 Visualization and (Wes) m636 Analytics Center for Enabling Technologies Bhattacharjee, U. New 83689 c148 500,000 200,000 Center for Integrated Amitava Hampshire m148 Computation and Analysis of Reconnection and Turbulence Boman, Erik Sandia Lab NM 83721 c708 25,000 1,000 Combinatorial scientific m708 computing: load balancing and matrix ordering. Bonoli, Paul MIT 83603 c77 m77 3,000,000 10,000 Center for Simulation of Wave-Plasma Interactions: SciDAC Project Borodin, Oleg U. Utah 84500 c1223 20,000 3,500 The Influence of Electrolyte m1223 Structure and Electrode Morphology on the Performance of Ionic-Liquid Based Supercapacitors Borrill, Julian Berkeley Lab 83806 cplanck 1,000,000 750,000 Cosmic Microwave Background planck Data Analysis For The Planck Satellite Mission Borrill, Julian Berkeley Lab 83807 c107 600,000 500,000 Cosmic Microwave Background mp107 Data Analysis For Sub-Orbital Experiments Borrill, Julian Berkeley Lab 83865 cdcmbpol 30,000 10,000 Simulations and analyses for cmbpol CMBpol mission concept studies Borrill, Julian Berkeley Lab 83938 chsls S 15,000 10,000 The Herschel-SPIRE Legacy hsls Survey (HSLS) Bowman, Joel Emory Univ 83672 c651 1,000,000 5,000 Theoretical studies of m651 combustion dynamics Bowman, Joel Emory Univ 83678 c631 250,000 2,000 Hydrocarbons in plasma m631 Branstetter, Oak Ridge 83669 c543 10,000 1,000 River Transport and Hydrology Marcia m543 in CCSM Brennan, Dylan U. Tulsa 83750 c908 400,000 20,000 Numerical Extended m908 Magnetohydrodynamics in Toroidal Magnetic Confinement Broadbelt, Linda Northwestern 83658 c763 80,000 500 Density Functional Theory m763 (DFT) Investigation of the Catalytic Activity of L- proline and Pd(OAc)2bis- (pyridyl)siloxanes Brown, Nancy Berkeley Lab 83492 c949 S 5,000 500 Combustion Chemistry m949 Brown, Virginia MIT 83615 c173 1,000 1,000 Electroweak and m173 Electromagnetic Interactions in the Nucleon-Nucleon System; Pion Production; Double Beta Decay Bruhwiler, David Tech-X Corp 83501 c327 350,000 100,000 Parallel Simulation of m327 Electron Cooling Physics and Beam Transport Brush, Charles CA Dept of 83358 c997 S 15,000 10,000 Using the California Central Water m997 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 83719 c411 100,000 75,000 Interaction of Atmospheric Philip m411 Chemistry and Aerosols with Climate Cannon, William PNNL 83917 c1098 S 10,000 5,000 Computational Biology, m1098 Statistics and Data Analysis Canon, Shane NERSC 84482 c1216 S 15,000 5,000 Magellan Research m1216 Car, Roberto Princeton 83351 c1002 900,000 1,000 Ab Initio Molecular Dynamics Univ m1002 simulation of liquid water using the PBE0 functional Carlson, Joseph Los Alamos 83523 c308 1,400,000 100,000 Low-Energy Nuclear Physics Lab m308 National HPC Initiative: Building a Universal Nuclear Energy Density Functional Carter, Emily Princeton 83935 c1115 30,000 10,000 Thermochemistry of biodiesel Univ m1115 combustion and the design of new materials for solar cells Cassak, Paul West Virginia 83368 c866 100,000 40,000 Three Dimensional and Univ m866 Diamagnetic Effects on the Onset and Evolution of Magnetic Reconnection Cerovecki, Ivana UC San Diego 83847 c1060 200,000 100,000 North Pacific Mesoscale m1060 Coupled Air-Ocean Simulations Compared with Observations Cessi, Paola Scripps Inst 83379 c699 750,000 30,000 Warm bias and m699 parameterization of boundary upwelling in ocean models Chan, Yuen-Dat Berkeley Lab 83717 majorana 75,000 Majorana - Neutrinoless Double Beta Decay Chan, Yuen-Dat Berkeley Lab 83723 babar 50,000 Storage for Nuclear Physics e895 Computations using PDSF at e896 NERSC mp46 na49 nsd rhicthry sno Chang, Choong- Courant Inst 83520 c499 3,000,000 100,000 Center for Plasma Edge Seock m499 Simulation: SciDAC FSP Prototype Center Chelikowsky, U. Texas 83564 c433 2,000,000 10,000 Computational Study of James Austin m433 Electronic and Structural Properties of Nanomaterials Chelikowsky, U. Texas 83621 c175 1,000,000 7,500 Electronic, Optical and James Austin m175 Thermodynamic Properties of Localized Systems Chen, Jacqueline Sandia Lab CA 83731 c241 2,000,000 750,000 Direct Numerical Simulations mp241 of Clean and Efficient Combustion with Alternative Fuels Chen, Liu UC Irvine 83559 c92 m92 1,500,000 20,000 Nonlinear Instability and Turbulent Transport Simulations Chen, Shentan PNNL 83858 c1064 800,000 1,000 Molecular Electrocatalysis m1064 Chen, Yang U. Colorado 83374 c118 700,000 40,000 Kinetic simulation of plasma Boulder mp118 microturbulence, kinetic MHD phenomena and magnetic reconnection processes Cheng, Hai-Ping U. Florida 83551 c261 400,000 10,000 Multiscale Simulations of mp261 Particle-, Molecule-Surface Interactions, simulations of nanowires: Structure, dynamics, and quantum transport, and structure and electronic structure of high Tc materials Chhabra, Swapnil Berkeley Lab 84492 c1221 S 15,000 1,000 Network Biology of Engineered m1221 Microbes Childs, Hank Livermore Lab 83738 cvisit 5,000 500 VisIt visit Ching, Wai-Yim U. Missouri 83595 c250 800,000 1,000 Electronic Structures and KC mp250 Properties of Complex Ceramic Crystals and Novel Materials Chou, Mei-Yin Georgia Tech 83512 c663 60,000 2,000 Phase Stability and Reaction m663 Dynamics of Metal Hydrides Chou, Mei-Yin Georgia Tech 83513 c258 60,000 4,000 First-Principles mp258 Investigation of Complex Materials Properties Choudhary, Alok Northwestern 83460 c844 100,000 500 Parallel I/O software m844 infrastructure for large- scale systems Chrzan, Daryl Berkeley Lab 83384 c110 200,000 500 Computational Materials mp110 Science Chu, Jhih-Wei UC Berkeley 83619 c787 351,000 25,000 Molecular Simulation of the m787 Intra- and Inter-molecular Communications through Protein Matrix Chuang, Livermore Lab 83493 c428 60,000 125,000 Aerosol Forcings and Catherine m428 Consequences on Climate Changes Clark, Scott Cornell Univ 83933 c1114 S 15,000 10,000 Exploring parallel m1114 metagenomic assembly algorithms. Coghlan, Susan Argonne 83926 c1108 S 15,000 1,000 Magellan at ANL m1108 Cohen, Bruce Livermore Lab 83372 c2 mp2 200,000 40,000 LLNL MFE Supercomputing Cohen, Bruce Livermore Lab 83373 cgc3 gc3 1,500,000 15,000 Magnetic Fusion Plasma Microturbulence Project Cohen, Bruce Livermore Lab 83394 c1010 250,000 20,000 LLNL HEDLP--Fast Ignition m1010 Cohen, Marvin Berkeley Lab 83346 cd173 800,000 25,000 Ab Initio Prediction of mp173 Structural and Electronic Properties of Materials Colby, Eric Tech-X Corp 83823 c981 15,000 5,000 Simulation of photonic m981 crystal structures for laser driven particle acceleration Colella, Phillip Berkeley Lab 83578 c1055 3,390,000 5,000,000 APDEC: Applied Differential m1055 Equations Center (SciDAC) Collins, William Berkeley Lab 83789 c1040 1,500,000 400,000 Investigation of the m1040 Magnitudes and Probabilities of Abrupt Climate TransitionS (IMPACTS) Compo, Gil U. Colorado 83718 c958 1,500,000 4,000,000 Surface Input Reanalysis for Boulder m958 Climate Applications (SIRCA) 1850-2011 Cooper, Oak Ridge 83821 c1057 300,000 20,000 Theoretical Studies of Valentino m1057 Layered Heterostructures Cotter, Steve Berkeley Lab 84486 cdesnet 15,000 1,000 ESnet Guest Accounts mpesnet Covey, Curtis Livermore Lab 83441 c193 40,000 2,000,000 Program for Climate Model mp193 Diagnosis and Intercomparison Crane, Gregory Tufts 83851 c855 60,000 15,000 Large-Scale Learning and the University m855 Automatic Analysis of Historical Texts Crivelli, Silvia Berkeley Lab 83909 c1089 15,000 1,000 Protein Structure Prediction m1089 Using ProteinShop Cummings, Peter Vanderbilt 83422 c138 700,000 5,000 Molecular-Based Simulation of Univ mp138 Complex and Nanostructured Fluids Cummings, Peter Vanderbilt 83732 c1046 700,000 5,000 Computational Resources for Univ m1046 the FIRST (Fluid Interfaces: Reactions, Structure and Transport) EFRC Center
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
D'Ippolito, Lodestar 83528 c376 1,000 1,000 Edge, SOL and Divertor Daniel Corp. m376 Modeling Daggett, Valerie U. Washington 83727 c559 2,000,000 40,000 Molecular Dynameomics m559 Damrauer, Niels U. Colorado 83793 c964 24,000 500 Applications of Adaptive Boulder m964 Quantum Control to Research Questions in Solar Energy Conversion Davidson, Ronald PPPL 83644 c314 25,000 1,000 Simulations of Field-Reversed m314 Configuration and Other Compact Tori Plasmas Davidson, Ronald PPPL 83722 c74 m74 40,000 10,000 Nonlinear Delta-f Particle Simulation of Collective Effects for Heavy Ion Fusion Drivers and High Intensity Particle Accelerators De Jong, Wibe PNNL 83397 c15 mp15 600,000 1,000 EMSL Molecular Science Software Capability Development, NERSC Performance Improvement, and Benchmarking De Jong, Wibe PNNL 83482 c834 800,000 5,000 Modeling the Influence of m834 Solution Phase and Interfacial Structure on the Stability of Actinide Oxidation States De Jonghe, Berkeley Lab 83588 c877 40,000 500 Proton Conduction in Rare- Lutgard m877 Earth Phosphates using Nudged Elastic Band Calculations Decyk, Viktor UCLA 83535 c201 15,000 60,000 Turbulent and MHD behavior of mp201 plasmas Deelman, Ewa Info Sciences 83924 c1104 S 5,000 1,000 Exploring the use of Cloud Inst m1104 Computing for Genomic Workflows Demmel, James UC Berkeley 83726 c156 20,000 2,000 Linear Algebra Algorithms on mp156 High Performance Computers Denlinger, Berkeley Lab 83434 c956 20,000 500 Solid state LDA band Jonathan m956 structure calculations for analysis of ALS synchrotron ARPES experiments Derenzo, Stephen Berkeley Lab 83634 c551 100,000 10,000 Electronic structure m551 calculations of new scintillator materials Detmold, William William & 83337 c789 1,300,000 50,000 Physics of bottom baryons in Mary m789 lattice QCD Devereaux, SLAC 83410 c772 300,000 1,000 Simulation of Photon Thomas m772 Spectroscopies for Correlated Electron Systems Diamond, Pat UC San Diego 83571 c786 3,500,000 50,000 Fusion SciDAC: Gyrokinetic m786 Particle Simulation of Turbulent Transport in Burning Plasmas Dietiker, Jeff Morgantown 83824 c998 S 15,000 1,000 Cartesian Grid Implementation ETC m998 in multiphase flow solver MFIX Dimitrov, Tech-X Corp 83371 c446 35,000 2,000 3D Modeling of an Electron Dimitre m446 Gun with a Diamond Amplifier Dominguez, U. Arizona 83825 c989 S 15,000 1,000 Regional Climate Modeling Francina m989 study of hydrologic Extremes in a changing climate Donatelli, Berkeley Lab 83923 c1103 S 15,000 2,000 Numerical Simulation of the Jeffrey m1103 Ribbing Instability in Coating Flows Dorland, William U. Maryland 83664 cd217 1,700,000 200,000 Turbulence, Transport and mp217 Magnetic Reconnection in High Temperature Plasma Drazer, German Johns Hopkins 83775 c955 15,000 5,000 Transport of finite size Univ m955 particles in ordered and disordered arrays of obstacles Dupuis, Michel PNNL 83509 c544 57,000 2,000 Charge Transfer, Transport, m544 and Reactivity in Complex Environments.
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Elster, Ohio Univ 83547 c20 mp20 35,000 1,000 Three Nucleon Scattering and Charlotte Bound State Calculations in Three Dimensions Erhart, Paul Livermore Lab 83786 c43 mp43 200,000 15,000 Microstructure evolution in irradiated materials
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Faller, Roland UC Davis 83440 c474 50,000 5,000 Polymers in confined m474 geometries Fang, Huazhi Penn State 84315 c1215 S 15,000 1,000 Investigations of phase m1215 stability and thickness issues in interconnects for solid oxide fuel cells through first-principles calculations and computational thermodynamic modeling Fedorov, Alexey Yale Univ 83769 c1004 600,000 20,000 Tropical cyclones and the m1004 shallow Pacific overturning circulation Felmy, Andrew PNNL 83642 c119 750,000 5,000 Computational Studies in mp119 Molecular Geochemistry Fleming, Graham Berkeley Lab 83453 c364 28,000 15,000 Simulations of nonlinear mp364 optical spectra and energy transfer dynamics of photosynthetic light- harvesting complexes. Fox-Rabinovitz, U. Maryland 83375 c893 50,000 900,000 Development of ensemble Michael m893 neural network convection parameterizations for climate models using ARM data Franceschetti, NREL 83486 c352 30,000 1,000 Electronic excited states in Alberto m352 semiconductor quantum dots Franceschetti, NREL 83720 c1042 1,000,000 1,000 Computational Inverse Design Alberto m1042 of Materials Freedman, Stuart Berkeley Lab 83503 kamland 4,500,000 Data Analysis and Simulations for KamLAND Freedman, Stuart UC Berkeley 83589 cuore 50,000 Data Analysis and Simulation for the CUORE Neutrinoless Double Beta Decay Experiment Freeman, Arthur Northwestern 83709 c134 250,000 5,000 Electronic Structure and mp134 Novel Properties in Complex Oxides and Hetero-interfaces Freericks, James Georgetown 83409 c974 1,000,000 15,000 Massively parallel simulation Univ m974 of pump-probe time-resolved photoemission Fridlind, Ann NASA GISS 83696 c843 250,000 45,000 Arctic Stratus and Tropical m843 Deep Convection: Integrating Measurements and Simulations Friedman, Alex Livermore Lab 83580 c42 mp42 100,000 6,000 Simulation of intense beams for heavy-ion-fusion science Fu, Guoyong PPPL 83417 c912 2,000,000 30,000 Plasma Energetic Particle m912 Simulation Center Fu, Joshua U. Hawaii 83852 c1059 S 15,000 20,000 Pilot project on the m1059 parameterization of mesoscale processes Fung, Inez UC Berkeley 83481 c189 400,000 600,000 Carbon Data Assimilation with m189 a coupled Ensemble Kalman Filter Fung, Inez UC Berkeley 83548 c992 120,000 20,000 Modeling Diurnal Variations m992 of California Land Biosphere CO2 fluxes Furman, Miguel SLAC 83549 cd93 20,000 500 Beam dynamics issues in the mp93 new high-intensity particle colliders and storage rings
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Galli, Giulia UC Davis 83740 c542 1,500,000 7,500 First principles simulations m542 of nanostructures Gandolfi, Los Alamos 84082 c1152 S 15,000 5,000 Quantum Monte Carlo Stefano Lab m1152 calculations of properties of nuclei and hyper-nuclei Gangopadhyay, AMEC - Earth 83797 c984 20,000 100,000 Climate Change and Hydrologic Subhrendu & Enviro m984 Modeling Framework for the Colorado River Basin Gao, Michael Natl Energy 83939 c1120 S 15,000 1,000 Thermodynamic and Elastic Tech Lab - OR m1120 Properties of Cr-, Mo-, and Nb-based Alloys Garrett, Bruce PNNL 83685 c329 750,000 1,000 Chemical reactivity, mp329 solvation and multi-component heterogeneous processes in aqueous environments Gatica, Silvina Howard Univ 83599 c940 S 5,000 100 Computer simulation study of m940 the effect of the substrate relaxation on adsorption properties Geddes, Cameron Berkeley Lab 83596 c558 4,500,000 600,000 Particle simulation of laser m558 wakefield particle acceleration Geissler, UC Berkeley 83437 c628 1,000,000 2,000 Rare but dramatic Phillip m628 evolutionary events in a microscopic model of protein- like chain molecules Geissler, UC Berkeley 83450 c980 250,000 4,000 Surveying free energy Phillip m980 landscapes for self-assembly of ligand-passivated nanorods in evaporating solution. Gerber, Robert UC Irvine 83826 c993 15,000 1,000 From Vibrational Spectroscopy m993 to Force Fields & Structures of Saccharides: New Computational Algorithms and Applications Gezerlis, U. Washington 83645 c1034 150,000 10,000 Neutron matter: from Alexandros m1034 polarization to static response Ghosh, Gautam Northwestern 83613 c921 200,000 1,000 Computational Design and m921 Prototype Evaluation of Aluminide Strengthened Ferritic Superalloys for Power Generating Turbine Applications Ginovska, Bojana PNNL 83812 c919 10,000 1,000 The Reaction Specificity of m919 Nanoparticles in Solution Gohar, Yousry Argonne 83760 c259 60,000 500 ANL Fusion Program m259 Golji, Javad UC Berkeley 83874 c960 E 15,000 1,000 Cell and Protein Mechanics m960 UCB Class Account Gorton, Ian PNNL 83941 c1126 S 15,000 10,000 Characterization of Workflows m1126 under Different Computing Models for the Systems Biology Knowledgebase Gray, Stephen Argonne 83466 c430 650,000 1,000 Nanoscale Electrodynamics m430 Greene, Chris U. Colorado 83796 c318 6,000 5,000 Molecular Dissociation by Boulder mp318 Electron Impact Grest, Gary Sandia Lab NM 84078 c1151 S 15,000 5,000 Drying and Self-Assembly of m1151 Nanoparticle Suspensions Grossman, MIT 83420 c884 200,000 500 Predicting X-ray absorption Jeffrey m884 spectra of CdSe surface from first principles Grossman, UC Berkeley 83745 c655 1,000,000 1,000 Quantum Simulations of Jeffrey m655 Nanoscale Solar Cells Guo, Hua U. New Mexico 83342 c627 250,000 500 Quantum dynamics of m627 elementary reactions in the gas phase and on surfaces Gutowski, Iowa State 83649 c612 40,000 5,000 Continuous Dynamic Grid William m612 Adaptation in a Global Atmospheric Model
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Haas, Stephan U. South 83592 c157 100,000 1,000 Magnetic Bose condensation California m157 vs. localization in doped quantum magnets Hall, Alex UCLA 83365 c995 800,000 150,000 Transforming the m995 Representation of the Boundary Layer and Low Clouds for High-Resolution Regional Climate Modeling Hamill, Thomas NOAA 83929 crefcst A 14,500,00 8,050,000 A multi-decadal reforecast refcst data set to improve weather forecasts for renewable energy applications Hanson, James Auburn Univ 84516 c1233 S 10,000 5,000 MHD Simulations of the CTH m1233 Experiment Haranczyk, Berkeley Lab 83381 c875 15,000 500 Development of Maciej m875 cheminformatics tools and approaches involving quantum chemical calculations Harkay, Argonne 83648 c878 150,000 50,000 Solid state physics Katherine m878 calculations for the modeling and design of low transverse emittance photocathodes Harmon, Bruce Ames Lab 83632 c101 5,000 500 Photonic Band Gap Materials mp101 Harmon, Bruce Ames Lab 83701 c344 110,000 2,000 Electronic and structural mp344 properties of surfaces and interfaces Harris, Charles UC Berkeley 83499 c399 35,000 500 Computational Modeling and m399 Simulation of Organometallic Complexes in Solution Haves, Philip Berkeley Lab 83934 c1116 S 15,000 1,000 EnergyPlus performance m1116 improvement Head-Gordon, Berkeley Lab 83624 c54 mp54 700,000 100,000 Electronic structure and Martin simulation calculations of reactive chemical systems Head-Gordon, UC Berkeley 83744 c53 mp53 200,000 1,000 Global Optimization Teresa Approaches for Protein Structure Prediction Head-Gordon, Berkeley Lab 83754 c506 250,000 5,000 Experimental and Theoretical Teresa m506 Studies of Water and Ionic Liquids at Biological Interfaces Head-Gordon, UC Berkeley 83757 c657 500,000 60,000 Advanced Theoretical Models Teresa m657 to Characterize the Alzheimers Abeta Peptide Head-Gordon, Berkeley Lab 83758 c707 E 5,000 5,000 BE143/243: Class Competition Teresa m707 in Molecular Simulation Held, Eric Utah State 83667 c127 100,000 2,000 Application of Parallel m127 Kinetic Closures in NIMROD for Fusion Plasma Simulations Henkelman, U. Texas 83873 c1069 500,000 1,000 Correlation of Theory and Graeme Austin m1069 Function in Well-defined Bimetallic Electrocatalysts Heyden, Andreas U. South 83863 c1065 15,000 1,000 Rational catalyst design for Carolina m1065 energy production Hinchliffe, Ian Berkeley Lab 83442 atlasdc 50,000 ATLAS derived data staging Hinchliffe, Ian Berkeley Lab 83443 atlas S 5,000 50,000 Simulation and analysis of c1092 ATLAS Physics m1092 Hingerty, Brian Oak Ridge 83483 mp106 1,000 Storage for Crystallographic, NMR and Molecular Modeling Calculations Ho, Kai-Ming Ames Lab 83703 c529 500,000 3,000 Predictive Modeling of the m529 Growth and Properties of Energy-Relevant Thin Film and Nanostructures (a CMSN Project) Holland, David New York Univ 83896 c1091 15,000 10,000 Modeling abrupt change in m1091 global sea level arising from ocean ice sheet interaction. Hybertsen, Mark Brookhaven 83636 c1032 200,000 12,000 Electronic properties and Lab m1032 reactivity of supported and templated nanostructures
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Im, Hong U. Michigan 83522 c217 443,000 100,000 Petascale Computing, m217 Visualization, and Science Discovery of Turbulent Sooting Flames Inerbaev, Talgat U. Central 83794 c976 15,000 500 Ceria nanoparticles as a Florida m976 perspective material for biomedical applications Irish, Jennifer Texas A&M 83905 c1088 15,000 2,000 Climate-induced changes in Univ m1088 hurricane winds, surge, and risk to electric power systems (CCHWSRPS). Izzo, Valerie General 83388 c21 mp21 800,000 50,000 NIMROD Project: Extended Atomics Magnetohydrodynamic Modeling for Fusion Experiments Izzo, Valerie General 83389 c455 175,000 1,000 Disruption and disruption Atomics m455 mitigation simulations
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Jackson, Keith Berkeley Lab 83879 cloudsat S 500 Satellite Data Processing in the Cloud Jacobs, Peter Berkeley Lab 83543 alice S 2,000,000 Data analysis and simulations calice for the ALICE experiment at the LHC Jardin, Stephen PPPL 83602 c286 10,000 5,000 Analysis and Design of mp286 Stellarator Configurations Jardin, Stephen PPPL 83608 c287 500,000 7,000 Projection Method for MHD and mp287 Pellet Injection/ELMs in Tokamaks using AMR Jardin, Stephen PPPL 83616 c288 2,500,000 25,000 3D Extended MHD simulation of mp288 fusion plasmas Jasper, Ahren Sandia Lab CA 83919 c1099 200,000 10,000 Automated construction of m1099 global molecular potential energy surfaces Jayaraman, Arthi U. Colorado 84004 c1139 15,000 1,000 Molecular Simulation of Rod Boulder m1139 Coil Polymers Jayaraman, Sai Sandia Lab NM 84491 c1222 15,000 5,000 Evolutionary optimization of m1222 interatomic potentials using Genetic Programming Jellinek, Julius Argonne 83350 c196 150,000 6,000 Structure, Energetics and m196 Dynamics of Metal, Including Alloy, Nanoparticles; Interactions of Clusters with Molecules and Surfaces Jena, Puru Virginia Comm 83773 c847 100,000 2,000 Clusters and Nanostructures Univ m847 for Energy Applications Ji, Chueng Ryong North 83444 c230 20,000 5,000 Quantum Chromodynamic Carolina m230 Analysis of Hadron Structure State and Application to Cosmology Jiang, De-en Oak Ridge 83380 c697 90,000 500 Computational study for m697 chemistry of novel separations Johnson, Donald U. Wisc. 83407 c167 30,000 68,000 Coupled Climate - Madison m167 Chemistry/Aerosol Modeling Judd, Eleanor UC Berkeley 83620 euso 5,000 Extreme Universe Space Observatory
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Kalinichev, Michigan 83552 c645 300,000 12,000 Molecular Dynamics of Andrey State m645 Geologically Important Fluids and Mineral-Fluid Interfaces Kanai, Yosuke Livermore Lab 83663 c1029 300,000 1,000 First Principles Molecular m1029 Dynamics Investigation of Carbon Dioxides Kanai, Yosuke Livermore Lab 83881 c1073 E 120,000 10,000 LLNL 2010 CCMS Summer m1073 Institute Kaplan, Michael Desert Res 83366 c965 30,000 5,000 Tall Tower Wind Energy Inst m965 Monitoring and Numerical Model Validation in Southern Nevada Karplus, Martin Harvard Univ 83360 cgc8 gc8 1,500,000 200,000 Molecular simulations of biological processes are proposed to aid in the understanding of the function of protein and nucleic acid components of cellular machines necessary for optimizing biofuel production. Kaufman, Ryan SUNY Stony 83827 c1007 S 15,000 1,000 Turbulent Fluid Mixing using Brook m1007 the Front Tracking Method Kent, Paul Oak Ridge 83423 c526 2,500,000 100,000 Computational Resources for m526 the Nanomaterials Theory Institute at the Center for Nanophase Materials Sciences Kern, Dorothee Brandeis 84316 c1183 S 15,000 1,000 Pathways of Conformational University m1183 Transitions in Enzyme Catalysis Kherlopian, Cornell Univ 84522 c1238 S 15,000 5,000 Tuning Ionic Conductances in Armen m1238 Cardiac Myocyte Models Kim, Kwiseon NREL 83575 c322 60,000 1,000 Parallel Optimization m322 Algorithms in Systems Biology and Inverse Material Design Kim, Kwiseon NREL 83576 c514 25,000 1,000 Electronic Structure and m514 Reaction Mechanism of [FeFe] Hydrogenases and PEC Materials Kioupakis, UC Santa 83694 c934 120,000 5,000 First principles modeling of Emmanouil Barbara m934 group-III-nitride compounds and alloys for applications in electronic and optoelectronic devices. Kiryluk, Joanna Berkeley Lab 83480 c1093 S 5,000 60,000 Simulation and Analysis for icecube IceCube m1093 Kleeman, Michael UC Davis 83782 c963 S 15,000 10,000 Climate Change Impacts on Air m963 Quality in California Klein, Richard UC Berkeley 83421 c231 350,000 600,000 Star Formation with Radiative m231 Transfer and Protostellar Outflows Ko, Kwok SLAC 83511 c349 1,000,000 5,000 Advanced Modeling for m349 Particle Accelerators Kogan, Boris UCLA 83698 c66 mp66 15,000 500 Fibrillation and Defibrillation of Simulated Cardiac Tissue in the Presence of Calcium-Induced Early and Delayed Afterdepolarizations. Koller, David U. Virginia 83752 c862 125,000 50,000 High Performance Computing m862 for Processing and Analysis of Digitized 3D Models of Cultural Heritage Koplik, Joel City College 83433 c247 75,000 30,000 Particulate transport in NY mp247 self-affine fractures Koracin, Darko Desert Res 83735 c1000 100,000 100,000 North Pacific Mesoscale Inst m1000 Coupled Air-Ocean Simulations Compared with Observations Kotamarthi, V. Argonne 83771 c184 85,000 2,000 High-Spatial Resolution Rao m184 Models of Atmospheric Chemistry, Aerosols for Regional Scale Climate Simulations Kral, Petr U. Illinois 83476 c624 280,000 500 Multiscale Modeling of Chicago m624 Nanomedicine and Nanopore Passage Krasnov, UC Berkeley 83828 c954 S 15,000 500 Computational Approaches for Alexander m954 Optimal Control of Virtual Environments Kritz, Arnold Lehigh Univ 83459 c649 300,000 5,000 Integrated modeling m649 simulations for the plasma edge Kronik, Leeor Weizmann Inst 83529 c716 200,000 5,000 Understanding the electronic Science m716 structure of novel electronic materials using many-body perturbation theory Kruger, Scott Tech-X Corp 83691 c681 750,000 5,000 Fusion Application for Core- m681 Edge Transport Simulations Kumar, Sanat Columbia Univ 84071 c1150 15,000 5,000 Modeling Polymer Behavior in m1150 Nanocmposites and Proteins
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Lacis, Andrew NASA GISS 83683 c238 20,000 1,000 Theoretical Calculation of m238 Water Vapor Continuum Absorption Landman, Uzi Georgia Tech 83485 c97 mp97 150,000 25,000 Quantum and classical simulations of clusters, self-assembly. nano-scale manupulations, nanotribology, and biological processes Langston, U. Tennessee 83572 c760 50,000 1,000 Scalable Computational Michael m760 Methods for the Analysis of High-Throughput Biological Data Lany, Stephan NREL 83728 c777 30,000 1,000 Designing New Materials for m777 Water Splitting from Solid Solutions of Semiconductor Compounds Lapenta, Giovani Los Alamos 83887 c1078 300,000 100,000 Kinetic modelling of multiple Lab m1078 scale processes in magnetized plasmas Leboeuf, Jean- U. Alaska 83536 c616 20,000 1,000 Gyrokinetic Studies of Non- Noel m616 Diffusive Transport Lee, Byounghak Texas State U 83555 c943 180,000 10,000 Engineering Band Alignment in m943 Oxide/Semiconductor Heterostructures Lee, Byounghak Texas State U 83690 c1039 80,000 1,000 Vertical Transport in m1039 Topological Insulator Thin Films Lee, Dung-Hai UC Berkeley 83894 c1084 15,000 1,000 Pnictide Superconductivity m1084 Lee, Frank George Wash 83418 c102 500,000 500,000 Nuclear Physics Calculations Univ m102 from Lattice Quantum Chromodynamics Lee, Mal Soon Michigan 83390 c968 80,000 5,000 Nanostructured Composite State m968 Materials for High Temperature Thermoelectric Energy Conversion Lee, T. S. Harry Jefferson Lab 83598 c615 250,000 500 Dynamical Coupled-channel m615 Analysis of Nucleon Resonances at Excited Baryon Analysis Center Lee, Wei-li PPPL 83657 c19 mp19 2,000,000 35,000 Turbulent Transport and Multiscale Gyrokinetic Simulation Lee, Xuhui NCAR 83488 c640 300,000 100,000 Influences of the Boundary m640 Layer Flow on Vegetation-Air Exchanges of Energy, Water and Carbon Dioxide Lele, Sanjiva Stanford Univ 83497 c837 2,150,000 200,000 Simulations of turbulent m837 flows with strong shocks and density variations Leng, Yongsheng George Wash 83586 c889 80,000 1,000 Multi-timescale molecular Univ m889 simulation study of nanoconfined fluids, nanomechanics and self- assembly at organo-metallic interfaces Lester, William Berkeley Lab 83356 c208 2,380,000 2,000 Quantum Monte Carlo for mp208 Electronic Structure of Molecules Lettenmaier, U. Washington 83829 c994 15,000 10,000 Susceptibility of Colorado Dennis m994 River basin to megadroughts in a warming climate Li, Rui Jefferson Lab 83876 c159 5,000 500 Effects of Coherent mp159 Synchrotron Radiation on Accelerator Performance and beam-beam simulations Li, Yan Brookhaven 83985 c1136 S 15,000 5,000 First-Principles Lab m1136 Investigation of Cellulose Li, Yan Brookhaven 84088 c1158 100,000 10,000 Ab inition Studies of Atomic Lab m1158 Structure and Bonding of Cellulose and Its Interaction with Water and Enzymes Liang, Xin-Zhong U. Illinois 83830 c1006 1,000,000 50,000 Optimizing the Cloud-Aerosol- U-C m1006 Radiation Ensemble Modeling System Lin, Guang PNNL 83779 c922 25,000 2,000 Northwest Consortium for m922 Multiscale Mathematics and Application Lin, Guang PNNL 83780 c920 25,000 2,000 Stochastic Analysis of m920 Advection-Diffusion-Reaction Systems with Applications to Reactive Transport in Porous Media Lin, Yu Auburn Univ 83419 c206 50,000 500 Gyrokinetic Electron and m206 Fully Kinetic Ion Particle Simulation of Magnetic Reconnection in Harris Current Sheet Lin, Zhihong UC Irvine 83531 c808 2,000,000 50,000 SciDAC GSEP: Gyrokinetic m808 Simulation of Energetic Particle Turbulenc and Transport Liphardt, Jan UC Berkeley 83884 c1077 S 15,000 5,000 Mechanobiology and Cancer m1077 Liu, Da-Jiang Ames Lab 83539 c812 125,000 500 Analysis of energetics and m812 kinetics of processes on metal surfaces (single- component crystals and multicomponent alloys) Liu, Feng U. Utah 83526 c284 200,000 1,000 First principles m284 investigation of the interplay of the quantum size effect and strain, and the influence of strain on the electronic properties of nanoscale systems. Liu, Feng U. Utah 83581 c1037 100,000 500 Understanding the Effects of m1037 Surface/Interface Morphology in SOFCs from Atomic Simulations Liu, Keh-Fei U. Kentucky 83505 c7 mp7 3,500,000 1,520,000 Lattice QCD Monte Carlo Calculation of Hadronic Structure and Spectroscopy Liu, Ping Brookhaven 83504 c848 800,000 500 Computational studies of Lab m848 supported nanoparticles in heterogeneous catalysis Liu, Ping Brookhaven 83676 c1035 200,000 1,000 Structures and catalytic Lab m1035 activities of mixed metal oxides Long, Charles PNNL 83345 c726 500,000 100,000 Simulating the tropical m726 cloud-climate interactions during the TWPICE experiment with the WRF model Louie, Steven Berkeley Lab 83385 c149 800,000 50,000 Computation of Electronic mp149 Properties of Materials from First Principles Loveland, Walter Oregon State 83462 c136 30,000 150,000 Theoretical predictions for m136 superheavy elements (SHE) using Relativistic Coupled- Cluster method Luk, Kam-Biu Berkeley Lab 83766 dayabay 150,000 Daya Bay Reactor Neutrino Experiment
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Ma, Chung-Pei UC Berkeley 83570 c289 100,000 10,000 Evolution of Massive Galaxies m289 and Black Holes Macnab, Angus Woodruff 83749 c1048 100,000 10,000 Optimization Algorithms for Scientific m1048 Fusion Energy Sciences LLC Maginn, Edward U. Notre Dame 83870 c1070 15,000 8,000 Atomistic Simulation of m1070 Actinides Majumdar, UC Berkeley 83508 c982 S 15,000 10,000 Carbon dioxide capture by Arunava m982 photoactivated organometallic complexes Makino, Kyoko Michigan 83436 c509 20,000 50,000 Modern Map Methods in State m509 Particle Beam Physics Manovich, Lev UC San Diego 83498 c860 65,000 90,000 Visualizing Patterns in m860 Databases of Cultural Images and Video Manson, Steven Georgia State 83457 c497 6,000 2,000 Inner and Outer Shell m497 Photoabsorption by Positive and Negative Ions and Neutral Atoms Mao, Hokwang Carnegie Inst 83880 c1072 S 15,000 2,000 Energy Materials at Extreme Washington m1072 Conditions Maranas, Costas Penn State 83831 c1011 S 5,000 500 Development of Computational m1011 Tools for Metabolic Model Curation, Flux Elucidation and Strain Design Markowitz, Berkeley Lab 83730 c1045 2,000,000 30,000 Microbial Genome and Victor m1045 Metagenome Data Processing and Analysis Marques, Osni Berkeley Lab 83755 c340 60,000 1,000 Installation, Testing and m340 Evaluation of ACTS Tools Mascarenhas, NREL 83653 c306 20,000 5,000 Electronic structure of non- Angelo mp306 conventional semiconductor alloys and nanostructures Masunov, Artem U. Central 83393 c977 500,000 50,000 Molecular Dynamics Florida m977 simulations of the small molecule effect on amyloid disaggregation Masunov, Artem U. Central 83477 c966 80,000 1,000 Simulation of catalitic Florida m966 activity for Ceria Nanoparticles and computer assisted design of engineered nanoparticles for optimized performance Masunov, Artem U. Central 83478 c1019 100,000 1,000 Drug-DNA Intercalation Florida m1019 Interaction energies: Hybrid QM/MM/MD Simulations Study Masunov, Artem U. Central 83524 c990 80,000 1,000 Prediction of heisenberg Florida m990 exchange constant for molecular magnet and other transition metal complexes using DFT+U Masunov, Artem U. Central 83525 c513 250,000 1,000 Design of nonlinear optical Florida m513 materials with enhanced two- and three-photon absorbing properties Masunov, Artem U. Central 83844 c991 50,000 500 Density Functional Theory Florida m991 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 83937 c1118 50,000 5,000 Molecular Dynamics study of Florida m1118 the structure, stability and free energy of amyloid oligomers for insulin and its fragment (LVEALYL) in computer assisted design of delayed-release insulin formulation Matis, Howard Berkeley Lab 83869 c1067 S 10,000 50,000 Simulations of the LUMI lumi Detector which is located at m1067 the LHC Mauel, Michael Columbia Univ 83922 c1102 S 15,000 2,000 High Beta Plasma Research at m1102 Columbia University Mavrikakis, U. Wisc. 83521 c351 1,500,000 50,000 First-Principles Catalyst Manos Madison mp351 Design for Environmentally Benign Energy Production McAdams, Harley Stanford Univ 83617 c926 15,000 1,000 Computational Prediction of m926 Transcription Factor Binding Sites McCurdy, C. Berkeley Lab 83591 cd74 100,000 5,000 Electron and Photon William mp74 Collisions with atoms and molecules Medvedeva, Julia MO Univ of 83507 c1013 400,000 1,000 Transparent conductive Science and m1013 materials for energy-related Te applications Mei, Donghai PNNL 83452 c752 700,000 1,000 Computational Studies on the m752 Reactivity, Reaction Mechanism and Kinetics of Catalytic Systems Mei, Donghai PNNL 83716 c761 50,000 500 First principles based m761 modeling of substrate effect on reactivity of supported transition metal oxide catalysts Menon, Surabi Berkeley Lab 83514 c464 25,000 20,000 Development of Cloud Physics m464 Parameterizations for climate models Meza, Juan Berkeley Lab 83822 c1012 15,000 1,000 ASCEM - Advanced Subsurface m1012 Computing for Environmental Management Mikkelsen, David PPPL 83542 c64 m64 1,000,000 15,000 Experimental Tests of Gyrokinetic Simulations of Microturbulence Militzer, UC Berkeley 83647 c1036 80,000 500 Hydrogen Storage in Silane- Burkhard m1036 Hydrogen Molecular Compounds Militzer, UC Berkeley 83774 c744 60,000 500 First-principles simulation Burkhard m744 of dense water, oxygen, and hydrogen at high pressure Miller, Doug UNC Asheville 83646 c550 20,000 10,000 Forecasting Coupled m550 Meteorology and Air Quality at Very High Resolutions, Phase 3b: Direct and Indirect Effects of Aerosols in Western North Carolina Miller, Thomas Cal Tech 83751 c822 700,000 2,000 Sampling diffusive dynamics m822 on long timescales, and simulating the coupled dynamics of electrons and nuclei Miller, William UC Berkeley 83369 c14 mp14 200,000 500 Semiclassical approaches for condensed matter dynamics and for molecular reaction dynamics Montgomery, Florida 83878 c1079 200,000 1,000 Computational Nanophotonics Jason Southern m1079 College Mori, Warren UCLA 83537 c113 700,000 60,000 continuing studies of plasma mp113 based accelerators Mori, Warren UCLA 83660 c412 1,000,000 75,000 Investigations of fast m412 ignition physics and extreme states of matter Moriarty, Nigel Berkeley Lab 83832 c967 15,000 1,000 Comparison of ultra-low m967 resolution X-ray diffraction electron density with theoretical calculations Morris, James Oak Ridge 83601 c435 75,000 2,000 Atomistic modeling of novel m435 alloy behavior Moule, Adam UC Davis 83541 c1025 100,000 2,000 Coarse-grained computer m1025 simulations of polymer/fullerene bulk heterojunctions for organic photovoltaic applications Msezane, Alfred Clark Atlanta 83349 c911 S 5,000 5,000 Electron/Photon Interactions Univ m911 with Atoms/Ions Muckerman, James Brookhaven 83768 c783 218,000 1,000 Computational Studies at BNL Lab m783 of the Chemistry of Energy Production and Use Muggli, Patric U. South 83530 c275 20,000 1,000 Program for Plasma-Based California mp275 Concepts for Future High- Energy Accelerators Muite, Benson U. Michigan 84520 c1237 S 30,000 5,000 Numerical Investigations of m1237 models for martensitic phase transformations Mundy, PNNL 83687 c452 2,000,000 10,000 Novel density functional Christopher m452 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 83567 c914 125,000 500 Computations of Reacting Flow m914 with Detailed Kinetics Najm, Habib Sandia Lab CA 83568 c401 20,000 500 A Computational Facility for m401 Reacting Flow Science Neaton, Jeffrey Berkeley Lab 83494 c387 1,250,000 100,000 Theory of nanostructured m387 materials Negele, John MIT 83813 c133 1,400,000 515,000 Exploration of Hadron mp133 Structure using Lattice QCD Nelson, Brian U. Washington 83609 c172 200,000 4,000 Helicity Injected Torus m172 Current Drive and Compact Toroid Studies Nelson, Brian U. Washington 83725 c489 250,000 5,000 The Plasma Science and m489 Innovation Center Nemeth, Karoly Argonne 83699 c634 100,000 150,000 Parallel Computation for m634 Laser Plasma Interactions at Relativistic Intensities Nemeth, Karoly Argonne 83702 c986 20,000 15,000 Reverse Monte Carlo m986 Simulations for Very Large Disordered Systems Newman, Gregory Berkeley Lab 83684 c372 2,000,000 1,000 Large Scale 3D Geophsycial m372 Inversion & Imaging Ng, Cheuk-Yiu UC Davis 83500 c319 30,000 500 State-of-the-Art ab initio m319 Calculations of Energetics and Spectroscopic Properties of Molecular Neutrals/Cations/Radicals for Comparison with Highly Accurate Experimental Measurements Ng, Esmond Berkeley Lab 83704 cd127 100,000 5,000 High Performance Sparse mp127 Matrix Algorithms Ng, Esmond Berkeley Lab 83705 c1041 50,000 2,500 Berkeley-ISICLES: High m1041 Performance Adaptive Algorithms for Ice Sheet Modeling Nolen, Jerry Argonne 83430 c362 150,000 100,000 Radioactive Beam Facilities mp362 and Isotope Production - Target, Shielding, Fragment Separators and Accelerator Studies Norgaard, Peter Krell 83671 c971 S 15,000 500 Direct numerical simulation Institute m971 of MPDT propulsive plasmas using the SEL and HiFi codes Notaro, Michael U. Wisc. 83506 c731 400,000 100,000 Ecosystem response to future Madison m731 climate change and the impact of vegetation feedbacks in the Southwest United States: Expanded focus to North America Nugent, Peter Berkeley Lab 83707 c937 36,000 1,000,000 Palomar Transient Factory m937 Nugent, Peter Berkeley Lab 83708 c779 100,000 500,000 Baryon Oscillation m779 Spectroscopic Survey Nugent, Peter Berkeley Lab 83801 c1052 76,000 1,200,000 La Silla Supernova Search m1052
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Odyniec, Grazyna Berkeley Lab 83577 c1094 S 5,000 5,000,000 STAR Detector Simulations and gc5 Data Analysis m1094 ppdg rhstar Oefelein, Joseph Sandia Lab CA 83610 c295 1,500,000 2,000 Large Eddy Simulation of m295 Turbulence-Chemistry Interactions in Reacting Multiphase Flows Ogut, Serdar U. Illinois 83622 c567 80,000 10,000 Electronic and optical Chicago m567 properties of transition metal clusters and organic dyes Oliker, Leonid Berkeley Lab 83455 c650 50,000 1,000 Scientific Application m650 Performance on Candidate PetaScale Platforms Orginos, Kostas William & 83682 c762 2,000,000 50,000 Electromagnetic properties of Mary m762 resonances. Ozolins, Vidvuds UCLA 83403 c1009 500,000 40,000 Quantum Prediction of m1009 Advanced Hydrogen Storage Materials. Ozolins, Vidvuds UCLA 83736 c1047 1,500,000 40,000 Quantum Prediction of m1047 Advanced Thermoelectric and Supercapacitor Materials. Ozolins, Vidvuds UCLA 83741 c1049 500,000 15,000 First-Principles Studies of m1049 Nuclear Fuel Materials.
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Palsson, UC San Diego 84565 c1244 S 10,000 1,000 Exact Genome-scale Bernhard m1244 (metabolism, macromolecular synthesis, and regulation) in silico modeling for T. maritima and E. coli Pan, Chongle Oak Ridge 84044 c1142 S 15,000 10,000 Ultrascale Computational m1142 Modeling of Phenotype- Specific Metabolic Processes in Microbial Communities Pankin, Alexei Lehigh Univ 83700 c1043 500,000 5,000 Modeling of tokamak plasmas m1043 with large scale instabilities Parish, Carol U. Richmond 83947 c1132 100,000 1,000 A Theoretical Investigation m1132 of the Structure and Reactivity of the Molecular Constituents of Oil Sand and Oil Shale Paropkari, Viraj NERSC 83914 cgpgpu S 5,000 1,000 GPU cluster for High gpgpu Performance Computing Parvin, Bahram Berkeley Lab 83763 m823 900,000 Mechanism of DNA Damage and Repair Nuclear Imaging of Gene Expression Patton, Edward NCAR 83637 c917 400,000 20,000 Impact of vegetation on m917 turbulence over complex terrain: a wind energy perspective Penner, Joyce U. Michigan 83558 cd231 120,000 50,000 Three-dimensional Global mp231 Atmospheric Aerosol and Chemistry Modeling Pennycook, Oak Ridge 83662 c221 200,000 5,000 Numerical Simulations of Stephen mp221 Nanocrystals, Interfaces, Grain Boundaries in Complex Materials Perlmutter, Saul Berkeley Lab 83739 c219 150,000 200,000 SNAP Simulation and Analysis m219 snap Perlmutter, Saul Berkeley Lab 83802 deepsrch 1,000,000 Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Persson, Kristin Berkeley Lab 84566 cmatgen 15,000 10,000 The Materials Genome matgen Persson, Per- Berkeley Lab 83885 c1076 S 15,000 5,000 High-Order Discontinuous Olof m1076 Galerkin Simulations for Fluid and Solid Mechanics Persson, Per- Berkeley Lab 83890 c1080 325,000 5,000 High-Order Discontinuous Olof m1080 Galerkin Simulations for Transition Prediction at Low Reynolds Numbers Peter, William Johns Hopkins 83387 c933 S 15,000 500 Computational Performance of Univ m933 a Massively Parallel 3-D Finite Difference Code for Acoustic/Elastic Wave Modeling Pieper, Steven Argonne 83465 c26 mp26 150,000 10,000 Exact Calculations of Light Nuclei, Nucleonic Matter and Electroweak Interactions Using Realistic Interactions Pindzola, Auburn Univ 83338 c41 m41 3,000,000 85,000 Computational Atomic Physics Michael for Fusion Energy Plewa, Tomasz Florida State 83367 c461 250,000 500,000 Supernova Explosions in Three m461 Dimensions Poon, Alan Berkeley Lab 83401 snodata 200,000 Storage for Sudbury Neutrino Observatory (SNO) data Pordes, Ruth Fermilab 83640 c670 150,000 50,000 Extending the Open Science m670 osg Grid Pothen, Alex Purdue Univ 83413 c872 250,000 500 Combinatorial Algorithms for m872 Petascale Scientific Computing (CAPSC) Potter, Gerald UC Davis 83893 c1086 S 15,000 5,000 Continental Response to m1086 Abrupt Climate Change Post 70 ka: An Integrated Isotopic and Trace Element Study of Sierra Nevada Speleothems Pratt, Larry Fisk Univ 83556 c936 150,000 500 Computational Studies of m936 Lithium Carbenoid and other organolithium Reaction Mechanisms Pratt, Larry Fisk Univ 83839 c1008 E 10,000 500 Class in Computational m1008 Chemistry Prendergast, Berkeley Lab 84515 c1232 30,000 5,000 X-ray spectra of PbSe David m1232 nanocrystals Price, Phillip Berkeley Lab 84058 c1146 S 15,000 10,000 Adjust Building Energy Models m1146 to Match Real Building Data Primack, Joel UC Santa Cruz 83673 c363 100,000 150,000 Galaxy Formation Simulations mp363 Prinz, Fritz Stanford Univ 83445 c1014 150,000 500 Quantum Size Effects on m1014 Catalysis: Nanocrystals as Pseudo-Elements Between Platinum and Gold Pritchett, UCLA 83363 c28 mp28 50,000 60,000 Fusion Plasma Modeling Using Philip 3-D Particle-In-Cell Simulations at UCLA Pu, Han Rice Univ 83747 c918 400,000 500 Phase diagram for polarized m918 ultra-cold fermi gases in higly elongated harmonic traps Pullin, Dale Cal Tech 83449 c1015 125,000 100,000 Direct numerical simulation m1015 of the Mach reflection phenomenon and diffusive mixing in gaseous detonations Punjabi, Alkesh Hampton Univ 83892 c1083 10,000 1,000 Homoclinic tangles in the m1083 DIII-D divertor tokamak Puzyrev, Vanderbilt 83515 c1022 60,000 1,000 Structure and spectroscopy Yevgeniy Univ m1022 simulations
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Rajopadhye, Colorado 83840 c853 E 15,000 500 Introduction to Parallel Sanjay State m853 Processing CSU-CS475 Ram, Abhay MIT 83675 c224 500,000 12,000 Computational studies in m224 plasma physics and fusion energy Ramachandran, LA Tech U 83889 c1081 S 15,000 1,000 Computational strategies for Bala m1081 reactions of organometallic molecules Ramesh, UC Berkeley 84490 c1220 S 15,000 5,000 Structural, electronic, and Ramamoorthy m1220 magnetic properties of functional oxide thin films and interfaces Randall, David Colorado 83783 c328 2,000,000 75,000 Global cloud modeling State m328 Rashkeev, Sergey Idaho 83635 c647 150,000 2,000 Numerical Simulations of National Lab m647 Defects and Chemical Reactions at Surfaces and Interfaces Ratcliff, Jay Army Engineer 83790 c566 A 130,000 5,000 Future Hurricanes & Coastal Center m566 Storm Surge with Global Climate Change Rauchwerger, Texas A&M 83756 c493 50,000 500 SmartApps: Middle-ware for Lawrence Univ m493 Adaptive Applications on Reconfigurable Platforms Reed, Evan Stanford Univ 83925 c1105 15,000 1,000 Dynamics of materials at m1105 extreme conditions Reed, Kevin U. Michigan 84573 c1249 S 15,000 1,000 Impact of Global Warming on m1249 Tropical Cyclones and other Extreme Weather Events Rehr, John U. Washington 83579 c313 20,000 1,000 High Performance Computation mp313 of Photon Spectroscopies and Electronic Excited States Reichler, Thomas U. Utah 83538 c730 2,000 1,000,000 Dynamics and Variability of m730 the Coupled Stratosphere- Troposphere System Rempe, Susan Sandia Lab NM 84122 c1214 S 15,000 5,000 Center for Frontiers of m1214 Subsurface Energy Security (CFSES) Ren, Chuang U. Rochester 83655 c792 150,000 20,000 Study of laser-plasma m792 interactions relevant to direct-drive ICF implosions Richards, Mark UC Berkeley 83461 c880 300,000 250,000 Mantle Convection and Plate m880 Tectonics Simulations using CitcomS Risbud, Sumedh Johns Hopkins 83776 c972 100,000 5,000 Transport of finite size Univ m972 particles in ordered and disordered arrays of obstacles Roe, Natalie Berkeley Lab 83447 ccd 50,000 Backup Storage for MicroSystems Laboratory CCD Database Rogers, Barrett Dartmouth 83639 c841 250,000 10,000 Gyrokinetic Simulations of College m841 Fusion Plasmas Rollett, Tony Carnegie 83614 c262 150,000 5,000 Microstructural Evolution Mellon mp262 Based on Fundamental Interfacial Properties: a DOE sponsored Computational Materials Science Network Romanowicz, UC Berkeley 83651 c554 90,000 500 Calibration of 3D Upper Barbara m554 Mantle Structure in Eurasia Using Regional and Teleseismic Full Waveform Seismic Data Rosner, Robert U. Chicago 83532 c869 S 15,000 10,000 Parameter Studies of m869 Rayleigh-Taylor Unstable, Boussinesq Flames using NEK5000 Rossi, Angelo U of Med and 83395 c886 S 5,000 500 Excited States of Organic Dent of NJ m886 Molecules in Solution Rouson, Damian Sandia Lab CA 84484 c1217 S 15,000 1,000 ForTrilinos: Object-Oriented m1217 Fortran 2003 Interfaces to the Trilinos Solver Framework Rubin, Edward JGI 83677 c342 1,500,000 4,270,000 Genomics research supporting m342 clean energy generation and environmental characterization and cleanup Rubin, Yoram UC Berkeley 83398 c950 800,000 10,000 Development of Numerical m950 Geostatiscal Inversion Code for the Hanford 300 area Ryne, Robert Berkeley Lab 83650 c669 321,000 50,000 Frontiers in Accelerator m669 Design: Advanced Modeling for Next-Generation BES Accelerators
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Saad, Yousef U. Minnesota 83772 c684 30,000 500 Pseudopotential Algorithm for m684 Real Space Electronic Calculations Salahuddin, UC Berkeley 83791 c946 60,000 10,000 Massively parallel quantum Sayeef m946 transport simulation of nano scale electronic devices for ultra low power computing Sallerson, Amber UNC Chapel 83761 c845 125,000 50,000 Simulating Multiphase Hill m845 Transport Phenomena in Porous Medium Systems Using Lattice- Boltzmann Methods Savage, Martin U. Washington 83681 c747 10,000,00 1,000,000 Hadron-Hadron Interactions m747 with Lattice QCD Saykally, UC Berkeley 83495 c696 1,175,000 70,000 X-ray Absorption Spectra of Richard m696 Aqueous Solutions from First Principles Calculations Schaefer, Henry U. Georgia 83491 c170 400,000 500 Computations of Properties to m170 Chemical Accuracy Scheibe, Timothy PNNL 83471 c749 2,500,000 20,000 Hybrid Numerical Methods for m749 Multiscale Simulations of Subsurface Biogeochemical Processes Schiavilla, Jefferson Lab 83557 c69 m69 20,000 500 Electroweak Structure of Rocco Light Nuclei Schnetter, Erik Louisiana 83778 c152 1,000,000 200,000 Physics of Core-Collapse State m152 Gamma-Ray Bursts Schrier, Joshua Haverford 83633 c1031 15,000 1,000 Thermal conductivity of College m1031 semiconductor nanowires Schuchardt, PNNL 83370 c873 1,200,000 155,000 IO Agent, Data Analysis, and Karen m873 Performance Analysis for the Global Cloud Resolving Model Schuech, Rudi UC Berkeley 83843 c1030 15,000 1,000 Sampling Performance of Bio- m1030 inspired Sensor Arrays Schultz, David Oak Ridge 83340 c48 mp48 150,000 5,000 Theoretical Atomic Physics for Fusion Energy Selloni, Princeton 83510 c944 109,000 10,000 Water adsorption on TiO2 and Annabella Univ m944 Fe2O3 surfaces Selloni, Princeton 83600 c836 200,000 10,000 Theoretical Research Program Annabella Univ m836 on Bio-inspired Inorganic Hydrogen Generating Catalyst and Electrodes Sengupta, Pinaki Nanyang Tech 84213 c1177 S 15,000 1,000 Understanding and Controlling U m1177 Complex States Emerging from Frustration Shalf, John Berkeley Lab 83792 c888 50,000 5,000 Science Driven System m888 Architecture: Benchmarking and Autotuner Development Shang, Shunli Penn State 83626 c679 75,000 500 First-principles m679 investigations of phonon and mechanical properties of Ni- based alloys Shay, Michael U. Delaware 83656 c733 100,000 26,000 Kinetic Physics of Magnetic m733 Reconnection and Turbulence Shields, George Bucknell 84488 c1226 S 15,000 5,000 Thermodynamics of Secondary University m1226 Aerosol Formation: Formation of Neutral and Ionic Cloud Condensation Nuclei Shigemitsu, Ohio State 83585 c268 20,000 100,000 Heavy-Light Physics with Junko mp268 NRQCD Heavy and Improved Staggered Light Quarks Shoshani, Arie Berkeley Lab 83516 c978 50,000 500 Improving I/O throughput for m978 mathematical simulation packages. Shoshani, Arie Berkeley Lab 83808 sdmstor 900,000 Storage for the Scientific Data Management Research Group Shukla, Hemant Berkeley Lab 83891 c1085 S 15,000 5,000 Real Time Imaging in Radio m1085 Astronomy Siegrist, James Berkeley Lab 84505 chpx hpx S 15,000 5,000 High-Pressure Xenon Gas Electroluminescent TPC Simulation and Development Sim, Alex Berkeley Lab 83867 cdclm100 S 15,000 20,000 Climate100: Scaling the Earth clim100 System Grid to 100 Gbps Networks Simon, Horst Berkeley Lab 83836 chpcrd 15,000 2,000,000 CRD High Performance mphpcrd Computing Research Department Guest Accounts Simon, Horst Berkeley Lab 83841 c309 E 50,000 1,000 Class Account for UCB CS267 / mp309 CS194 "Applications of Parallel Computing" Sinclair, Donald Argonne 83396 c27 mp27 4,000,000 100,000 Lattice Gauge Theory Simulations Skinner, David Berkeley Lab 83767 c947 100,000 1,000 SciDAC Outreach Center m947 Projects Smit, Berend UC Berkeley 83382 c979 100,000 500 Computational m979 Characterization of Porous Materials Smith, Jamison NCAR 83868 c1066 S 15,000 1,000 Sources of aerosol particles m1066 and cloud processing of aerosol particles in the marine boundary layer Smith, Jeremy Oak Ridge 83800 c906 2,940,000 100,000 Molecular Dynamics m906 Simulations in Bioremediation and Protein Dynamics. Smith, Philip U. Utah 83932 c1113 A 3,200,000 50,000 Retrofittable CO2 Capture m1113 Technologies via Simulation Tools with Quantified Uncertainty Smoot, George Berkeley Lab 83795 astrogfs 10,000 Large Astrophysical Data Sets: Data analysis and simulation of astro-physical neutrinos, dark matter and dark energy. Snurr, Randall Northwestern 83353 c538 60,000 500 Modeling Metal-Organic m538 Frameworks for Hydrogen Storage and Catalysis Sosonkina, Masha Ames Lab 83594 c419 40,000 2,000 Interoperable software for m419 modern high-performance applications Souza, Ivo UC Berkeley 83412 c755 30,000 500 Magnetoelectric properties of m755 multiferroic materials Sovinec, Carl U. Wisc. 83383 c200 600,000 20,000 Fluid and Hybrid Modeling of Madison mp200 Electromagnetic Activity in MFE Plasmas Spentzouris, Fermilab 83392 c778 1,600,000 30,000 Community Petascale Project Panagiotis m778 for Accelerator Science and Simulation Spera, Frank UC Santa 83583 c178 90,000 10,000 Large-Scale Molecular Barbara m178 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 83405 c202 200,000 10,000 Plasma Confinement, mp202 Stability, Heating and Optimization in Stellarators and Tokamaks Sposito, Berkeley Lab 83399 c47 mp47 375,000 21,000 Clay Mineral Surface Garrison Geochemistry Sprangle, Naval 83674 c343 900,000 5,000 High Energy Laser-Driven Phillip Research Lab mp343 Acceleration Based on the Laser Wakefield Accelerator Stocks, G. Oak Ridge 83533 c641 2,000,000 15,000 Computational Materials Malcolm m641 Theory Striolo, Alberto U. Oklahoma 83627 c530 250,000 500 Aqueous Electrolyte m530 Solutions at Solid-Fluid Interfaces Striolo, Alberto U. Oklahoma 83630 c751 15,000 500 Intelligent Simulation- m751 Assisted Catalyst Design Striolo, Alberto U. Oklahoma 83631 c894 30,000 500 Enhancing the heat-transfer m894 properties of nylon nanocomposites via the intercalation of graphene sheets Strohmaier, Berkeley Lab 83811 c283 50,000 500,000 Performance Characterization Erich m283 and Benchmarking of HPC Systems
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Tafen, De Nyago Natl Energy 83940 c1128 15,000 1,000 Design of Multicomponent Tech Lab - OR m1128 Alloys Based on PdCu for Hydrogen Separation Membranes Tainer, John Berkeley Lab 83784 c870 S 10,000 100 Solution structure modeling m870 for small angle X-ray scattering Tang, Ming Livermore Lab 83936 c1127 15,000 5,000 Evolution of Grain-Boundary- m1127 Engineered Microstructures Under Extreme Conditions Tang, Ming Livermore Lab 84092 c1155 S 15,000 5,000 Simulations of m1155 Electrochemically-Driven Phase Transitions in Nanoscale Olivine Electrodes for Lithium Batteries Tang, Xianzhu Los Alamos 83764 c204 100,000 5,000 nonlinear studies of Lab mp204 magnetically confined plasmas Tang, Xianzhu Los Alamos 83765 c139 100,000 1,000 Nonlinearly implicit MHD and Lab m139 two-fluids simulation of fusion plasmas Thakur, U. Delaware 83706 c915 150,000 500 DMRG approach for large scale Bhupender m915 nuclear structure calculations. Thakur, Louisiana 84331 c1185 S 15,000 1,000 GPU acceleration for Quantum Bhupender State m1185 Monte Carlo algorithms in condensed matter and quantum chemistry. Thirumalai, Dave U. Maryland 83785 c704 200,000 500 Understanding function of m704 biological nanomachines Tillett, Jason U. Rochester 83605 c799 50,000 500 Large Scale Bio-acoustic m799 Propagation Simulator Toussaint, Doug U. Arizona 83490 c13 mp13 13,000,00 40,000 Quantum Chromodynamics with three flavors of dynamical quarks Tsung, Frank UCLA 83930 c1110 A 3,250,000 100,000 Large scale particle-in-cell m1110 simulations of laser-plasma interactions relevant to Inertial Fusion Energy Tyson, Trevor New Jersey IT 83781 c805 20,000 500 Constrained Structural m805 Optimization of Complex Metal Oxides
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Umstadter, U. Nebraska 83502 c942 1,358,000 100,000 Laser-driven electron Donald Lincoln m942 accelerator and x-ray photon source
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Vahala, George William & 83712 c32 mp32 400,000 200,000 Lattice Boltzmann Simulations Mary for Plasmas Van Straalen, Berkeley Lab 83859 c1058 E 50,000 1,000 Health Application for ParLab Brian m1058 research into Multicore architectures Van de Walle, UC Santa 83362 c892 300,000 2,000 Computational Studies of Chris Barbara m892 Hydrogen Interactions with Storage Materials Varga, Kalman Vanderbilt 83606 c957 S 15,000 1,000 First-principles electronic Univ m957 structure calculations Vary, James Iowa State 83654 c94 m94 1,300,000 120,000 Structure and Reactions of Hadrons and Nuclei; Non- perturbative Solutions of Strongly Interacting Particles and Fields Veilleux, Cornell Univ 83484 c952 500,000 10,000 Explicit finite element Michael m952 simulation of microstructurally small fatigue crack propagation Verdier, NERSC 83332 cnorepo 20,000 500,000 NERSC overhead account for Francesca noexp users with no active repo norepo Vertes, Akos George Wash 83710 c928 S 15,000 1,000 Molecular Dynamics of Soft Univ m928 Ionization Methods and Osmosensors Vladimirova, U. Chicago 83597 c867 S 5,000 500 Rayleigh-Taylor (RT) unstable Natalia m867 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
Walkosz, Argonne 84506 c1224 S 15,000 5,000 Metastable Materials Weronika m1224 Waltz, Ronald General 83475 cd94 550,000 25,000 Simulation of Magnetically Atomics mp94 Confined Fusion Plasmas Wang, Cai-Zhuang Ames Lab 83641 c769 100,000 2,000 Ab initio molecular dynamics m769 simulation of metallic liquid and glass Wang, Guofeng Indiana Univ 83842 c1001 15,000 5,000 Theoretically relating the m1001 surface composition of Pt alloys to their performance as the electrocatalysts of low-temperature fuel cells Wang, Haobin New Mexico 83411 c93 m93 900,000 1,000 Quantum Dynamical Study of State Charge and Energy Transfer Processes in the Condensed Phase Wang, Jianwei U. Michigan 83469 c951 100,000 500 Energetics of defect m951 formation in Gd2Ti2O7 and Gd2Zr2O7 pyrochlore Wang, Lin-Wang Berkeley Lab 83665 c304 1,000,000 200,000 Large scale nanostructure mp304 electronic structure calculations Wang, Yi Penn State 83404 c891 200,000 3,000 Spin-lattice Coupling in m891 Magnetic Phase Transition Ware, Andrew U. Montana 83659 c205 24,000 500 Theory of Turbulent Heat and mp205 Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators Washington, NCAR 83593 c9 mp9 13,000,00 4,200,000 Climate Change Simulations Warren with CCSM: Moderate and High Resolution Studies Weber, William PNNL 83518 cd148 75,000 5,000 Defects, Defect Processes, mp148 and Ion-Solid Interactions in Ceramics Wei, Suhuai NREL 83496 c252 600,000 5,000 Doping bottleneck, van der mp252 Waals interaction, and novel ordered alloy Wei, Suhuai NREL 83931 c1111 A 5,000,000 10,000 First-Principles Design of m1111 Advanced Thermal Energy Storage Materials Weinert, Michael U. Wisc. 83713 c330 50,000 1,000 Electronic Structure of Milwaukee mp330 Alloys, Surfaces, and Nanostructures Weitzner, Harold New York Univ 83715 c338 250,000 40,000 Advanced Toroidal Theory and mp338 Computation Wellein, Gerhard RRZ Erlangen 83425 c635 50,000 750 Application Performance Germany m635 Characteristics of Leading Edge Supercomputers Wen, Zhaofang Sandia Lab NM 83429 c1020 S 15,000 500 Parallel Phase Model m1020 Wereszczynski, UC San Diego 83787 c1056 200,000 1,000 Simulations of Enzymatic Jeff m1056 Functions in Energy and Oxygen Transport and Regulation Werthimer, Dan UC Berkeley 83364 seti 1,800,000 Berkeley High Resolution Neutral Hydrogen Sky Survey Whangbo, Myung North 83435 c929 250,000 500 Band Electronic Structures Carolina m929 and Crystal Packing Forces State White, Martin UC Berkeley 83415 c68 m68 50,000 250,000 Constraining dark energy with structure formation White, Martin UC Berkeley 83416 astrodat 150,000 Data storage for astrophysics simulations White, Stanley Oak Ridge 83886 ornlbak 40,000 Oak Ridge Backup Whitehouse, Glen Continuum 84474 c1211 S 10,000 5,000 Advanced Methods for Dynamics Inc. m1211 Predicting 3D Unsteady Flows Around Wind Turbine Blades Whiteson, Daniel UC Irvine 83809 atlasuci 500 ATLAS Simulation at UC Irvine Wilkins, John Ohio State 83454 c160 1,000,000 2,000 Modeling Dynamically and mp160 Spatially Complex Materials Winsor, Peter U. Alaska 83871 c1068 150,000 90,000 Abrupt Climate Change and the m1068 Atlantic Meridional Overturning Circulation - Sensitivity and Non-Linear Response to Arctic/Sub-Arctic Freshwater Pulses Wirth, Brian UC Berkeley 83748 c916 65,000 1,500 Ab-initio modeling of the m916 energetics and structure of nanoscale Y-Ti-O cluster precipitates in ferritic alloys Wong, Pak PNNL 84136 c1209 S 15,000 10,000 Extreme Scale Visual m1209 Analytics Wood, Andrew NOAA NWS 84425 c1219 S 15,000 10,000 Assessing the Implications of CBRFC m1219 Alternative Climate Change Downscaling Approaches for Hydrology, Water and Energy Management Woodruff, Simon Woodruff 83427 c633 100,000 6,000 Simulations of the Formation, Scientific m633 Compression and Merging of LLC Compact Tori Woosley, Stan UC Santa Cruz 83335 c106 7,500,000 200,000 Computational Astrophysics m106 Consortium Wu, Jianzhong UC Riverside 83391 c618 100,000 500 Atomic density functional m618 theory for crystal nucleation and growth Wu, Meng-Shiou Ames Lab 83612 c664 20,000 5,000 Computational Quality of m664 Service for Chemistry Software Wu, Ruqian UC Irvine 83590 c532 100,000 1,000 First Principles Exploration m532 for the Origin of Ferromagnetism in Diluted Magnetic Semiconductors Wu, Ruqian UC Irvine 83607 c244 250,000 1,000 First Principles mp244 Investigations and Simulations for Catalytic Properties of Metal/Oxide Surfaces Wuebbles, Donald U. Illinois 83470 c79 mp79 200,000 700,000 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 83474 c863 200,000 15,000 Simulations of electron Boulder m863 Bernstein waves in a three- dimensional geometry
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Yan, Yanfa NREL 83439 c721 75,000 10,000 Theory of metal oxides for m721 potential applications of PEC water spliting Yang, Li Washington 84510 c1227 S 15,000 2,000 First-principles Studies on Univ StLouis m1227 Many-electron Effects of Doped Graphene Yang, Lin Livermore Lab 83468 c1016 1,000,000 1,000 Toward Petascale Atomistic m1016 Simulations with Quantum- Level Accuracy: Alloys and Dynamic Fracture Yao, Weiming Berkeley Lab 83355 cdf 100,000 Physics Analysis of CDF fermi (Collider Detector at Fermilab) Data Yelick, Berkeley Lab 83805 c215 100,000 5,000 UPC, CAF and Titanium Katherine mp215 Yelick, Berkeley Lab 83810 cnersc 20,000 10,000 NERSC Division Guest Accounts Katherine mpnersc Yoon, Phil Brookhaven 83864 c988 S 15,000 500 Modeling of Detectors and Lab m988 Diagnostic Instruments Yu, Hua-Gen Brookhaven 83354 c881 150,000 500 High dimensional quantum Lab m881 dynamics studies of molecular spectroscopy and chemical dynamics Yunn, Byung Jefferson Lab 83666 c216 15,000 200 Accelerator Physics Studies m216 of Applications of Superconducting Linacs
Principal Site Request Repo MPP HPSS Project Title Investigator Id 'Hours' SRUs
Zhang, Bin Arkansas 83414 c688 30,000 2,000 Dynamics of Relativistic State m688 Heavy Ion Collisions Zhang, Guoping Indiana St U 83336 c713 1,000,000 15,000 Ultrafast magnetization in m713 ferromagnets Zhang, Shoucheng Stanford Univ 83945 c1131 S 15,000 1,000 Searching and designing new m1131 materials for topological insulators Zhang, Zhenyu Oak Ridge 83652 c108 200,000 1,000 First principles design of m108 energy storage and generation materials: light element based nanostructures, nanohybrids, and quantum metal alloys. Zhang, Zhenyu Oak Ridge 83729 c781 200,000 500 First principles studies of m781 optimal dopant control in semiconductor nanostructures Zheng, Linjin U. Texas 83711 cd77 50,000 5,000 Comprehensive modeling and Austin mp77 transport studies at the Institute for Fusion Studies Zhong, Xiaolin UCLA 83565 c1005 50,000 5,000 Direct Numerical Simulation m1005 of Shock and Turbulence Interaction using High Order Shock-Fitting Schemes Zhu, Ping U. Wisc. 83463 c572 200,000 30,000 Extended MHD Modeling of Madison m572 Nonlinear Ballooning Instabilities in Fusion and Space Plasmas Zhu, Ping Florida 83582 c973 200,000 160,000 Multiple-scale simulation of Interntl Univ m973 boundary layer clouds using WRF Zunger, Alex NREL 83489 c70 mp70 1,000,000 20,000 Computational Semiconductor Physics Zunger, Alex NREL 83534 c346 1,000,000 5,000 Predicting the electronic m346 Properties of 3D, Milion-Atom Semiconductor Nanostructure Architectures Zunger, Alex NREL 83540 c790 150,000 10,000 Computational modeling and m790 design of new materials for photovoltaics Zyla, Piotr Berkeley Lab 83628 pdg 14,000 Particle Data Group Zyla, Piotr Berkeley Lab 83629 e871 250,000 HyperCP (FNAL E871)