2006 Initial Allocations Awards
The following table lists the allocation awards for NERSC for the 2006 allocation year (Dec 1, 2005 through Jan 8, 2007). The list is in alphabetical order by the last name of the Principal Investigator.If you have any questions about your allocation, see NERSC Allocation Managers.
Note - Letters following the repository name indicate the following:
| `S' | NERSC Startup award |
|---|---|
| `I' | INCITE award |
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Agarwal, Deborah Berkeley Lab 81131 mpdsd 5,000 50,000 CRD Distributed Systems Department Guest Accounts Agarwal, Deborah Berkeley Lab 81261 bwc m510 S 50,000 50,000 National Center for Hydrology Synthesis Al-Jassim, Mowafak NREL 81236 mp308 24,000 100 Theoretical simulations of effects of extended and point defects on the properties of advanced materials Aldering, Greg Berkeley Lab 81505 m112 660,000 The Nearby Supernova snfactry Factory Alhassid, Yoram Yale Univ 81508 mp69 75,000 100 Statistical Many-Body Studies of Nuclei and Quantum Dots Alivisatos, Paul Berkeley Lab 81349 m387 386,000 2,000 Theory of nanostructured materials Antonsen, Thomas U. Maryland 81401 m444 28,000 10,000 Application of Plasma Waveguides to Advanced High Energy Accelerators Arons, Jonathan UC Berkeley 81451 mp274 10,000 22,000 Relativistic Collisionless Shockwaves and their Application to Astrophysical Flows Atherton, Cynthia Livermore Lab 81210 mp163 50,000 25,000 Atmospheric Formation, Transformation, and Radiative Forcing of Acid- Catalyzed Secondary Organic Aerosols
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Babikov, Dmitri Marquette 81282 m409 79,000 15,000 Coherent Control of Ground Univ Electronic State Molecular Dynamics: Toward Bond Selective Chemistry. Babiuc, Maria U. Pittsburgh 81398 m456 S 10,000 2,500 Numerical Harmonic Evolution for Schwarzchild Black Holes Baer, Ferdinand U. Maryland 81308 mp188 190,000 4,000 Multiresolution climate modeling with the spectral element method Baertschy, Mark U. Colorado 81327 m434 S 20,000 100 Molecular Control Studies Denver and Electron-Impact Ionization Bailey, David Berkeley Lab 81219 m88 75,000 500 The Performance Engineering Research Center Bailey, David Berkeley Lab 81271 mp207 1,000 100 Experimental Mathematics and High-Precision Software Bala, Govindasamy Livermore Lab 81386 mp3 150,000 18,000 SciDAC: High-resolution climate modeling on Massively Parallel Computers Balakrishnan, Ramesh NCSA 81515 m539 S 20,000 1,000 Computational Study of Radiation on the Flow Dynamics of Solid Rocket Booster Motors Balbuena, Perla Texas A&M 81353 m249 600,000 3,000 Computational chemistry Univ search of efficient catalysts Bansil, Arun Northeastern 81182 m225 25,000 2,000 Correlation Effects, Magnetism, and Spectroscopy of Complex Materials, including Nanosystems Barad, Michael UC Davis 81227 m502 20,000 500 Embedded Boundary Adaptive Mesh Refinement Simulations for Environmental Flows Baron, Edward Brookhaven 81233 mp90 150,000 15,000 Synthetic Spectra of Lab Astrophysical Objects Batchelor, Don Oak Ridge 81140 m77 400,000 500 Center for Simulation of Wave-Plasma Interactions: SciDAC Project Batista, Victor Yale Univ 81414 mp311 300,000 1,000 Simulations of electron- hole relaxation dynamics on functionalized TiO2- anatase surfaces Batista, Victor Yale Univ 81494 m410 181,000 1,000 QM/MM Studies of High- Valent Manganese Complexes Battaglia, Marco UC Berkeley 81512 ilc m549 S 500 10,000 International Linear Collider Behling, Pat U. Wisc. 81281 m285 75,000 28,000 Towards the prediction of Madison decadal to mult-century processes in a high- throughput climate system model Bell, John Berkeley Lab 81368 mp111 1,159,000 1,100,000 Applied Partial Differential Equations Benedek, Roy Argonne 81175 mp169 100,000 200 First Principles Calculations for Lithium Battery Electrodes and Electrode Coatings Bentz, Jonathan Ames Lab 81835 m654 S 20,000 500 Development and Performance Testing of Computational Chemistry Software Bhattacharjee, Amitava U. New 81284 m148 250,000 30,000 Magnetic Reconnection Code Hampshire Bishop, Jim Berkeley Lab 81413 m479 S 20,000 5,000 Using ocean models to link physical processes with ocean carbon measurements Borrill, Julian Berkeley Lab 81277 mp107 860,000 200,000 Cosmic Microwave Background Data Analysis Bowman, Joel Emory Univ 81818 m651 20,000 2,000 Theoretical studies of combustion dynamics Boyalakuntla, Jay Oak Ridge 81587 m575 S 20,000 5,000 Process Modeling for Adanced Gas Reactor Fuel Development and Qualification Program Braams, Bastiaan Emory Univ 81658 m631 20,000 500 Hydrocarbons in plasma Branstetter, Marcia Oak Ridge 81478 m543 10,000 2,000 River Transport and Hydrology in CCSM Bringa, Eduardo Livermore Lab 81481 mp43 135,000 15,000 Microstructure evolution in irradiated materials Brown, Eric Northwestern 81596 m597 S 20,000 200 Ab Initio Study of the Nonlinear Optical Response Properties of Extended Chromophores Brown, Virginia MIT 81453 m173 5,000 1,000 Electroweak and Electromagnetic Interactions in the Nucleon-Nucleon System; Pion Production Bruhwiler, David Tech-X Corp 81490 m327 65,000 2,000 Parallel Simulation of Electron Cooling Physics and Beam Transport Budker, Dmitry Berkeley Lab 81430 m491 S 20,000 500 Ytterbium atomic structure
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Cai, Wei UNC Charlotte 81431 m495 25,000 50 Study Optical Coupling by Evanescent WGM's Between Microresonators Using Discontinuous Galerkin Methods Cameron, Kirk Virginia Tech 81577 m571 S 20,000 500 DOE ECPI: Ultra-Scale Memory Analysis for High- End Computing Cameron-Smith, Philip Livermore Lab 81310 m411 150,000 40,000 Interaction of Atmospheric Chemistry and Aerosols with Climate Canning, Andrew Berkeley Lab 81501 m126 175,000 5,000 Mathematical/Computational Methods for Electronic Structure Codes in Nanoscience Canning, Andrew Berkeley Lab 81630 m619 S 20,000 1,000 EAD289C UC Davis graduate course in Computational Modelling Cattaneo, Fausto U. Chicago 81259 incite4 250,000 20,000 Magneto-rotational m557 instability and turbulent angular momentum transport Cessi, Paola Scripps Inst 81556 m556 S 500 5,000 Eddies in the ocean circulation Chan, Yuen-Dat Berkeley Lab 81144 babar 90,000 Storage for Nuclear e895 Physics Computations using e896 PDSF at NERSC mp46 na49 nsd rhicthry sno Chang, Choong-Seock Courant Inst 81202 m499 1,800,000 5,000 Center for Plasma Edge Simulation: SciDAC FSP Protocol Center Chelikowsky, James U. Texas 81247 m433 115,000 3,000 Scalable Methods for Austin Electronic Excitations and Optical Responses of Nanosctructures: Mathematics to Algorithms to Observables Chelikowsky, James U. Texas 81248 m175 75,000 2,000 Optical Excitations and Austin Structural Properties of Localized Systems Chen, Jacqueline Sandia Lab CA 81276 mp241 360,000 20,000 Direct Numerical Simulation of Stabilization Mechanisms in Lifted Nonpremixed Flames with Vitiated Coflow Chen, Liu UC Irvine 81154 m92 175,000 1,000 Nonlinear Instability and Transport Computations Chen, Yang U. Colorado 81153 mp118 350,000 500 Gyrokinetic simulation of Boulder plasma microturbulence and kinetic MHD phenomena Cheng, Hai-Ping U. Florida 81169 mp261 440,000 5,000 Multiscale Simulations of Particle-, Molecule- Surface Interactions and simulations of nanowires: Structure, dynamics, and quantum transport Cheng, Wei U. Washington 81228 m500 S 20,000 5,000 Tropical Pacific Trend and Variability Ching, Wai-Yim U. Missouri 81224 mp250 340,000 50 Theoretical Studies of the KC Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials Choi, Dae-Il NASA GSFC 81365 m421 6,000 15,000 Numerical Relativity Simulations of Merging Black Hole Binaries Chou, Mei-Yin Georgia Tech 81234 mp258 50,000 1,000 First-Principles Investigation of Complex Materials Properties Chou, Mei-Yin Georgia Tech 81287 m91 40,000 500 Quantum Monte Carlo Study of Electron Correlation in Quantum Dots Chrzan, Daryl Berkeley Lab 81364 mp110 80,000 50 Computational Materials Science Chu, Shih-I U. Kansas 81313 m517 S 20,000 2,500 Nonperturbative study of multiphoton processes of atomic and molecular systems in intense laser fields Chuang, Catherine Livermore Lab 81312 m428 100,000 30,000 Aerosol Forcings and Consequences on Climate Changes Cohen, Bruce Livermore Lab 81183 mp2 225,000 25,000 LLNL MFE Supercomputing Cohen, Bruce Livermore Lab 81184 gc3 1,500,000 15,000 Magnetic Fusion Plasma Microturbulence Project Cohen, Marvin Berkeley Lab 81417 mp173 450,000 6,000 Ab Initio Prediction of Structural and Electronic Properties of Materials Cui, Congwu Berkeley Lab 81567 m562 S 10,000 50 Coherent x-ray diffraction tomography Cummings, Peter Vanderbilt 81363 mp138 190,000 750 Molecular-Based Simulation Univ of Complex and Nanostructured Fluids Cummings, Peter Oak Ridge 81400 m526 820,000 10,000 Computational Resources for the Nanomaterials Theory Insitute at the Center for Nanophase Materials Sciences Cummings, Peter Oak Ridge 81484 m535 250,000 1,000 Large scale quantum transport: a leap towards realistic length scales for molecular electronic devices. Curtiss, Larry Argonne 81470 m440 50,000 50 Catalytic Reaction Mechanisms in Nanoporous Membranes Curtiss, Larry Argonne 81503 m211 100,000 50 Electronic Structure Computational Studies of Energy Storage Systems and Bionanocomposites
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
D'Ippolito, Daniel Lodestar 81148 m376 1,000 300 Edge, SOL and Divertor Corp. Modeling D'Itri, Julie U. Pittsburgh 81504 m363 80,000 100 Probing the Mechanism of Halocarbon and Hydrocarbon Conversion Reactions Catalyzed by Bimetallic Surfaces Daggett, Valerie U. Washington 81443 incite6 700,000 17,000 Molecular Dynameomics m559 Davidson, Ronald PPPL 81198 m314 65,000 500 Simulations of Field- Reversed Configuration and Other Compact Tori Plasmas Davidson, Ronald PPPL 81311 m74 65,000 20,000 Nonlinear Delta-f Particle Simulation of Collective Effects for Heavy Ion Fusion Drivers and High Intensity Particle Accelerators Daw, Murray Clemson Univ 81681 m638 15,000 50 Theoretical modeling of thermoelectric materials De Jong, Wibe PNNL 81215 mp15 165,000 100 EMSL Molecular Science Software Development and Benchmarking DeWeaver, Eric U. Wisc. 81297 m431 30,000 6,500 Diagnostic research and Madison development: Dynamics of Arctic climate and atmospheric circulation in AMIP, CMIP, and National Assessment Integrations. Dean, David Oak Ridge 81267 m203 400,000 100 Computational nuclear many-body problem Demmel, James UC Berkeley 81362 mp156 10,000 8,000 Linear Algebra Algorithms on High Performance Computers Demmel, James Berkeley Lab 81435 mp309 S 20,000 100 Class Account for UCB CS267 "Applications of Parallel Computing" Derenzo, Stephen Berkeley Lab 81529 m551 20,000 500 Electronic structure calculations of new scintillator materials Dimitrov, Dimitre Tech-X Corp 81442 m446 13,000 5,500 3D Modeling and Simulations of High- Performance Electron Sources Ding, Chris Berkeley Lab 81450 mp153 30,000 1,000 Development of Community Climate System Model Doniach, Sebastian Stanford Univ 81307 mp219 77,500 1,000 Kinetic pathways for protein misfolding and amyloid formation Doniach, Sebastian Stanford Univ 81491 m326 14,500 50 Amino acid Point mutations in proteins: prediction of backbone changes Dorland, William U. Maryland 81371 mp217 500,000 50,000 Turbulence, Transport and Magnetic Reconnection in High Temperature Plasma Downing, Kenneth Berkeley Lab 81584 m573 20,000 1,000 DNA packaging in phage Drake, John Oak Ridge 81888 m659 100,000 40,000 A Scalable and Extensible Earth System Model for Climate Change Science Drazer, German Johns Hopkins 81550 m520 155,000 5,000 Molecular Simulations of Univ Transport in Micro/Nanofluidic Devices Duffy, Philip Livermore Lab 81495 m312 280,000 35,000 Evaluation of a new representation of subgrid scale processes in a high resolution global climate model Duguet, Thomas Michigan 81487 m541 S 20,000 5,000 Microscopic description of State low-energy properties of medium to heavy mass nuclei Dunietz, Barry U. Michigan 81388 m467 S 20,000 50 Ab-initio design of molecular scale devices and materials for alternative fuel technology. Dupuis, Michel PNNL 81497 m544 60,000 1,000 Charge Transfer, Transport, and Reactivity in Complex Environments.
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Elster, Charlotte Ohio Univ 81199 mp20 65,000 1,500 Three Nucleon Scattering and Bound State Calculations in Three Dimensions Esarey, Eric Berkeley Lab 81479 mp278 144,000 10,000 Numerical Simulations of Advanced High Energy Acceleration Techniques and Applications
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Faller, Roland UC Davis 81393 m474 35,000 50 Polymer dynamics and glass transition Fawley, William SLAC 81255 mp197 3,500 50 Numerical Simulation of Short-Wavelength Free- Electron Lasers Utilizing Self-Amplified Stimulated Emission (SASE) or Harmonic Cascade Configurations Felmy, Andrew PNNL 81514 mp119 425,000 100 Computational Studies in Molecular Geochemistry Finney, Charles Oak Ridge 81590 m577 S 20,000 5,000 MFIX simulations of nuclear fuel particle chemical vapor deposition dynamics Fischer, Charlotte Vanderbilt 81186 mp52 500 150 Theoretical studies of Univ atomic transitions Fleming, Graham Berkeley Lab 81381 mp364 15,000 1,000 Simulations of non-linear optical spectra and energy transfer dynamics of photosynthetic light- harvesting complexes and reaction centers. Fox-Rabinovitz, Michael U. Maryland 81406 m527 150,000 100,000 Decadal Climate Studies with Enhanced Variable and Uniform Resolution GCMs Using Advanced Numerical Techniques Franceschetti, Alberto NREL 81379 m352 40,000 50 Electronic excited states in semiconductor quantum dots Frank, Joachim Wadsworth 81421 m316 269,500 100 Correlative Cryo-EM and Center Molecular Dynamics Simulations of Ribosomal Structure Freedman, Stuart Berkeley Lab 81283 kamland 2,000,000 Data Analysis and Simulations for KamLAND Freeman, Arthur Northwestern 81399 mp134 390,000 600 Energetics, Bonding Mechanism and Electronic Structure of Metal/Ceramic Interfaces Friedman, Alex Livermore Lab 81298 mp42 165,000 5,000 Simulation of intense beams for heavy-ion fusion Fung, Inez UC Berkeley 81147 m189 50,000 20,000 Carbon-Climate Interactions Furman, Miguel Berkeley Lab 81223 mp93 2,000 1,050 Beam dynamics issues in the new high-intensity particle colliders and storage rings
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Galli, Giulia UC Davis 81496 m542 125,000 50 First prinicples simulations of nanostructures Garfinkel, Alan UCLA 81448 m287 60,000 2,000 Mathematical Modeling of Cardiac Arrhythmias Garrett, Bruce PNNL 81438 mp329 260,000 200 Computational chemistry, physics, and materials science approached to study chemical reactivity, physisoprtion, solvation, and radiation effects in heterogeneous environments Gascon, Jose U. 81595 m601 S 20,000 2,000 Quantum Mechanical Connecticut derivation of large scale polarization effects in bio-macromolecules: Application to protein ion channels and protein- protein association. Geddes, Cameron Berkeley Lab 81576 incite7 I 2,500,000 50,000 Particle in cell simulation of laser wakefield particle acceleration Geissler, Phillip UC Berkeley 81651 m628 20,000 5,000 Rare but dramatic evolutionary events in a microscopic model of protein-like chain molecules Gel, Aytekin Morgantown 81242 m507 S 20,000 1,500 Benchmarking of OpenFOAM ETC with TAU performance profiling tool and Performance Comparison with MFIX Ghan, Steven PNNL 81361 m357 10,000 18,000 Evaluation of a Subgrid Orography Scheme in a Global Climate Model Ghoniem, Ahmed MIT 81204 mp218 427,000 6,000 Lagrangian Simulation and Optimization of Turbulent Mixing and Combustion Glaser, Donald UC Berkeley 81348 m460 S 20,000 50 Excitable Neuronal Array Models of the Human Visual System Glimm, James SUNY Stony 81354 mp123 13,000 1,800 Front Tracking Simulations Brook of DOE Priority Mixing Problems Gohar, Yousry Argonne 81291 m259 500 100 ANL Fusion Program Goldschmidt, Yadin U. Pittsburgh 81302 m516 20,000 50 Simulations of flux lines in high temperature superconductors with random pins Gray, Stephen Argonne 81258 m430 60,000 6,000 Nanoscale Electrodynamics Gray, Stephen Argonne 81260 mp166 110,000 7,000 Quantum Dynamics of Chemical Reactions Greene, Chris U. Colorado 81201 mp318 30,000 50 Molecular Dissociation by Boulder Electron Impact Grossman, Jeffrey UC Berkeley 81836 m655 20,000 2,000 Quantum Simulations of Nanoscale Solar Cells Guo, Hua U. New Mexico 81650 m627 20,000 100 Quantum dynamics of combustion reactions Gutowski, Maciej PNNL 81525 m260 52,500 50 Molecular Energetics of Clustered Damage Sites in DNA Gutowski, Maciej PNNL 81526 mp358 100,000 50 Computational Studies of Heterogeneous Catalysis Gutowski, William Iowa State 81621 m612 50,000 18,000 Continuous Dynamic Grid Adaptation in a Global Atmospheric Model Guzdar, Parvez U. Maryland 81407 m533 S 20,000 100 Microwave Generation for Fusion Applications
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Haas, Stephan U. South 81389 m157 120,000 50 Magnetic Fields and California Disorder in Quantum Spin Systems Hamilton, Edward Northwestern 81411 m370 20,000 50 Revival structures in laser-aligned rotational wave packets, including three-dimensional alignment using elliptical polarization Hammond, Jeff U. Chicago 81624 m614 S 20,000 2,000 Large-Scale Semidefinite Programming Calculations for Molecular Electronic Structure Harmon, Bruce Ames Lab 81305 mp344 75,000 200 Electronic and structural properties of surfaces and interfaces Harmon, Bruce Ames Lab 81390 mp101 20,000 50 Photonic Band Gap Materials Harris, Charles UC Berkeley 81177 m399 S 20,000 50 Computational Modeling and Simulation of Organometallic Complexes in Solution Harrison, Robert Oak Ridge 81476 m256 285,000 5,000 Chemical Discovery through Advanced Computing Head-Gordon, Martin Berkeley Lab 81262 mp54 450,000 5,000 Electronic structure and simulation calculations of reactive chemical systems Head-Gordon, Teresa UC Berkeley 81141 mp53 122,500 100 New Global Optimization Approaches for Protein Structure Prediction Head-Gordon, Teresa Berkeley Lab 81232 m506 140,000 100 Influence of Co-Solvents and Temperature on Nanoscale Self-Assembly of Biomaterials Held, Eric Utah State 81482 m127 25,000 2,000 Application of Integral, Parallel Closures in NIMROD for Fusion Plasma Simulations Henning, Reyco Berkeley Lab 81142 majorana 20,000 Majorana - Neutrinoless Double Beta Decay Hingerty, Brian Oak Ridge 81344 mp106 7,000 1,000 Crystallographic, NMR and Molecular Modeling Calculations of Carcinogen Modified DNA and protein/ DNA complexes Ho, Kai-Ming Ames Lab 81424 m529 200,000 400 Multiscale Studies of the Formation and Stability of Surface-Based Nanostructures (a CMSN Project) Holbrook, Steve Berkeley Lab 81570 m565 80,000 4,000 MAGGIE Bioinformatics: A Multi-level Description of the Protein Interaction Network Hurlbert, Wayne Berkeley Lab 81132 LBL 5,000 HPSS Storage for LBNL
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Im, Hong U. Michigan 81425 m217 1,650,000 3,000 High-Fidelity Direct Numerical Simulations of Turbulent Combustion - Compression Ignition under HCCI Conditions and NOx Formation in Turbulent Jet Flames Ingber, Marc U. New Mexico 81560 m560 100,000 500 Localized Scale Coupling in Multiphase Fluid Flows Ismail-Beigi, Sohrab Yale Univ 81230 m496 S 20,000 2,000 First principles Green's function calculations of electronic and optical properties of materials Izzo, Valerie MIT 81146 m455 60,000 100 Alcator C-Mod disruption and disruption mitigation simulations
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Jacobs, Peter Berkeley Lab 81463 alice 60,000 Simulations for the ALICE experiment at LHC Jain, Atul U. Illinois 81150 m537 S 20,000 50 Evaluating the Role of U-C Ocean Biogeochemical Variability in the Global Carbon Cycle using Satellite Observations and Models Jap, Bing Berkeley Lab 81445 m389 134,500 50 Molecular Dynamics Simulations of Water Transport through Water Channels Jap, Bing Berkeley Lab 81455 m490 20,000 50 Molecular Dynamics Simulations of Proteasome Assembly and Activation Jardin, Stephen PPPL 81270 mp287 65,000 2,000 Tokamak fueling via pellet and supersonic gas injection using AMR Jardin, Stephen PPPL 81328 mp288 650,000 5,000 3D Extended MHD simulation of fusion plasmas Jardin, Stephen PPPL 81336 mp286 100,000 10,000 Analysis and Design of Stellarator Configurations Jellinek, Julius Argonne 81209 m196 52,000 300 Structure, Energetics and Dynamics of Metal, Including Alloy, Nanoparticles; Interactions (Reactive and Inelastic) of Molecules with Nanoparticles Ji, Chueng Ryong North 81322 m230 5,000 50 Quantum Chromodynamic Carolina Analysis of Hadron State Structure and Application to Cosmology Johnson, Donald U. Wisc. 81427 m167 160,000 4,000 Modeling and Analysis of Madison Global and Regional Hydrologic Processes and Appropriate Conservation of Moist Entropy Juang, Hann-Ming Henry NOAA 82049 m685 S 20,000 2,000 Ensemble Regional Seasonal Forecast over USA by NCEP Regional Spectral Model Judd, Eleanor UC Berkeley 81152 euso S 2,000 Extreme Universe Space Observatory
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Kalinichev, Andrey U. Illinois 81735 m645 S 20,000 2,000 Molecular Dynamics of U-C Geologically Important Fluids and Mineral-Fluid Interfaces Kaplan, David U. Washington 81532 m308 15,000 3,000 Simulation of Nonrelativistic Fermi Gas Karplus, Martin Harvard Univ 81167 gc8 200,000 25,000 Theoretical study of conformational change, molecular recognition and catalysis in biomolecular systems Karrenbach, Martin Paulsson Inc. 81485 m302 5,000 10,000 3D Seismic Modeling Katsouleas, Thomas U. South 81331 mp275 104,000 1,000 Program for Plasma-Based California Concepts for Future High- Energy Accelerators Kendall, Ricky Ames Lab 81161 mp359 S 10,000 100 Computer Science 425: High Performance Computing for Scientific and Engineering Applications Kendall, Ricky Ames Lab 81462 mp263 2,000 200 Parallel and Distributed Computing Tools and Infrastructure Keyes, David Columbia Univ 81459 m125 10,000 100 Terascale Optimal PDE Simulations Kim, Kwiseon NREL 81254 m322 50,000 50 Nanoscience Parallel Optimization Algorithms Kim, Kwiseon NREL 81256 m514 70,000 100 Electronic structure and reactivity of FeFe- hydrogenase metalloclusters Kim, Sung-Hou Berkeley Lab 81429 mp211 900,000 100 Structural Genomics King, Benjamin U. Nevada 81585 m600 20,000 500 Patterns in Hydrogenation Reno of Carbon Nanotubes Klein, Richard UC Berkeley 81213 m231 500,000 80,000 Toward a Comprehensive Theory of Massive Star Formation Klein, Spencer Berkeley Lab 81278 icecube 1,000 Simulation and Analysis Work for IceCube Ko, Kwok SLAC 81350 m349 403,000 1,000 Advanced Modeling for High Energy Accelerators Kogan, Boris UCLA 81151 mp66 25,000 50 The effect of Markovian representation of cell gating processes on cardiac arrhythmias in 2- and 3-dimensional cardiac tissue Konerding, David Berkeley Lab 81294 imcg S 100 Exhaustive cross- comparison of genome sequences for IMG and IMCG Konerding, David Berkeley Lab 81535 m553 70,000 2,500 How does Topoisomerase I straighten bent DNA: Extended Molecular Dynamics Simulations of Topoisomerase I bound to curved DNA Koplik, Joel City College 81346 mp247 20,000 20,000 Particulate transport in NY self-affine fractures Kotamarthi, V. Rao Argonne 81374 m184 10,000 1,000 High-Spatial Resolution Models of Atmospheric Chemistry, Aerosols for Regional Scale Climate Simulations Krakauer, Henry William & 81468 m393 55,000 50 Quantum Monte Carlo study Mary of the structural instabilities in transition metal perovskites BiScO3 and BiYO3 Kral, Petr U. Illinois 81647 m624 S 20,000 100 Molecular dynamics studies Chicago of transport phenomena in hybrid nanoscale systems Kramer, William Berkeley Lab 81553 mphpcd 5,000 5,000 NERSC High Performance Computing Department Guest Accounts Kramer, William NERSC 81554 noexp 5,000 20,000 NERSC overhead account for norepo users with no active repo Krueger, Steven U. Utah 81477 m205 15,000 5,000 Simulating Cloud Systems Kuriyan, John UC Berkeley 81299 m37 100,000 3,000 Computational investigations of proteins involved in cell signaling and DNA replication Kwon, Young-Kyun UMass Lowell 81593 m599 S 20,000 2,000 Computational Modeling and Design for Nanotechnology and Nanomanufacturing.
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Lacis, Andrew NASA GISS 81378 m238 10,000 100 Theoretical Calculation of Water Vapor Continuum Absorption Lamarque, Jean-Francois NCAR 81410 m330 150,000 3,000 Simulation of present-day and 21st-century climate with interactive chemistry in CAM3: identifying the role of aerosols Landman, Uzi Georgia Tech 81300 mp97 205,000 22,000 Quantum and classical simulations of clusters, self-assembly. nano-scale manupulations, nanotribology, and biological processes Leboeuf, Jean-Noel UCLA 81172 mp28 85,000 15,000 Fusion Plasma Modeling Using 3-D Particle-In-Cell Simulations at UCLA Leboeuf, Jean-Noel UCLA 81191 mp201 30,000 25,000 Turbulent and MHD behavior of plasmas Leboeuf, Jean-Noel UCLA 81192 m414 650,000 25,000 Fusion Science Center For Multiscale Plasma Dynamics Lee, Frank George Wash 81145 m102 300,000 300,000 Excited Baryon Physics Univ from Lattice QCD Lee, Patrick MIT 81244 m525 79,000 50 Spin Liquid in honeycomb lattice Lee, Wei-li PPPL 81155 mp19 3,500,000 10,000 Center for Gyrokinetic Particle Simulations of Turbulent Transport in Burning Plasmas and Multiscale Mathematics Lester, William Berkeley Lab 81203 mp208 780,000 1,000 Quantum Monte Carlo for Electronic Structure of Molecules Lester, William Berkeley Lab 81316 m518 900,000 8,000 Application of Quantum Monte Carlo Methods to Biological Systems Leung, Lai-Yung Ruby PNNL 81507 m546 30,000 1,000 Modeling of Regional Climate Over China Leung, Mary Ann U. Washington 81274 m382 20,000 1,000 Numerical studies of the Bose Einstein Condensate in multiple wells Li, Haisen U. Florida 81601 m604 S 20,000 100 A Fourier analysis on the optimal grid size for discrete proton beam dose calculation Li, Rui Jefferson Lab 81432 mp159 5,000 100 Effects of Coherent Synchrotron Radiation on Accelerator Performance and beam-beam simulations Lin, Yu Auburn Univ 81235 m206 100,000 1,000 Gyrokinetic Electron and Fully Kinetic Ion Particle Simulations of 2-D Collisionless Magnetic Reconnection Liu, Feng U. Utah 81360 m284 170,000 1,000 First-principles Calculation of Surface Stress Evolution of Ge Quantum Dots Liu, Keh-Fei U. Kentucky 81269 mp7 700,000 500,000 Lattice QCD Monte Carlo Calculation of Hadron Structure Livny, Miron U. Wisc. 81797 m670 osg S 20,000 5,000 Extending the Open Science Madison Grid Loken, Stewart Berkeley Lab 81340 atlasdc 250,000 ATLAS Data Challenges Loken, Stewart Berkeley Lab 81342 atlas 35,000 Simulation of ATLAS Physics Lou, Tak Pui Berkeley Lab 81566 m561 S 20,000 2,000 Liquid Semiconductor Nuclear Power System Louie, Steven Berkeley Lab 81416 mp149 290,000 10,000 Computation of Electronic Properties of Materials from First Principles Lousto, Carlos U. Texas 81563 LazEv 30,000 25,000 Simulations of orbiting Brnsvl m199 Binary Black Holes Loveland, Walter Oregon State 81318 m136 120,000 70,000 Calculation of the Effects of Relativity and Electron Correlation for systems of superheavy elements Rutherfordium up to the heaviest primordial superheavy element (SHE) ekaplutonium E126 Luk, Kam-Biu Berkeley Lab 81685 dayabay S 1,000 Daya Bay Reactor Neutrino Experiment
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Ma, Chung-Pei UC Berkeley 81384 m289 41,000 2,000 Evolution of Dark Matter Halos and Black Holes Ma, Evan Johns Hopkins 81545 m400 68,500 2,000 Polyamorphism of Metallic Univ Glasses Maclin, Arlene Norfolk State 81648 m626 S 20,000 50 A Theoretical Investigation of the Optical Electronic and Mechanical Properties of Select Nanostructures Makino, Kyoko Michigan 81272 m509 50,000 25,000 Modern Map Methods in State Particle Beam Physics Manson, Steven Georgia State 81226 m497 S 20,000 500 Inner and Outer shell Photoabsorption by Positive and Negative Ions and Neutral Atoms Marques, Osni Berkeley Lab 81418 m340 6,500 100 Installation, Testing and Evaluation of ACTS Tools Mascarenhas, Angelo NREL 81304 mp306 30,000 1,000 Electronic structure of non-conventional semiconductor alloys and nanostructures Masunov, Artem U. Central 81530 m513 110,000 5,000 Molecular Dynamics Florida simulations of temperature-dependent linewidths on TD DFT calculated two-photon absorption spectra. Mavrikakis, Manos U. Wisc. 81412 mp351 400,000 100 First-Principles Catalyst Madison Design for Environmentally Benign Energy Production McCurdy, C. William Berkeley Lab 81456 mp74 25,000 1,500 Electron-Atom and Electron-Molecule Collision Processes McKee, Christopher UC Berkeley 81436 m498 S 20,000 50 Monte Carlo Radiative Transfer McMahon, William NREL 81205 m147 20,000 200 As/Ge Surface Structures Menon, Surabi Berkeley Lab 81138 m464 10,000 1,000 Cloud Physics Parameterizations for arctic stratus and convective cloud systems Meza, Juan Berkeley Lab 81552 mphpcrd 20,000 200,000 CRD High Performance Computing Research Department Guest Accounts Mezzacappa, Anthony Oak Ridge 81335 mp124 900,000 70,000 Shedding New Light on Exploding Stars: TeraScale Simulations of Neutrino- Driven Supernovae and Their Nucleosynthesis Mikkelsen, David PPPL 81207 m64 700,000 500 Experimental Tests of Gyrokinetic Simulations of Microturbulence Miller, Doug UNC Asheville 81521 m550 S 20,000 1,000 Forecasting Coupled Meteorology and Air Quality at Very High Resolutions Miller, Norman Berkeley Lab 81483 m273 25,000 5,000 The California Water and Energy System: An Approach for Addressing Future Crises Miller, William UC Berkeley 81366 mp14 180,000 100 Quantum instanton model and semiclassical approach for molecular reaction dynamics Millunchick, Joanna U. Michigan 81537 m547 S 20,000 50 Mechanisms for Surface Segregation in Compound Semiconductor Thin Films Mori, Warren UCLA 81279 mp113 620,000 40,000 continuing studies of plasma based accelerators Mori, Warren UCLA 81375 m412 265,000 7,500 Investigations of fast ignition physics and extreme states of matter Morris, James Oak Ridge 81197 m435 60,000 100 Atomistic modeling of novel alloy behavior Mukamel, Shaul UC Irvine 81690 m639 S 20,000 2,000 Probing Vibrational and Electronic Dynamics through Nonlinear Spectroscopy Mundy, Christopher Livermore Lab 81464 m452 160,000 1,000 Unraveling the Mysteries of the Phase Diagram of Water Using First Principles Methods and Tera-scale Computing Resources Murad, Paul Defense 81599 m602 S 5,000 500 Closed Form Solution to Intell Agency Navier-Stokes equations
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Najm, Habib Sandia Lab CA 81428 m401 1,000 1,000 A Computational Facility for Reacting Flow Science Najmabadi, Farrokh UC San Diego 81212 mp203 15,000 3,000 Fusion Edge Plasma Analysis for Divertor Design Negele, John MIT 81290 mp133 200,000 82,000 Exploration of Hadron Structure using Lattice QCD Nelson, Brian U. Washington 81367 m489 100,000 3,000 The Plasma Science and Innovation Center Nelson, Brian U. Washington 81447 m172 60,000 2,000 Helicity Injected Torus Current Drive and Compact Toroid Studies Nemeth, Karoly Argonne 81666 m634 S 20,000 2,000 Parallel Computation for Laser Plasma Interactions at Relativistic Intensities Newman, Gregory Berkeley Lab 81524 m372 150,000 150 Large Scale 3D Geophsycial Inversion & Imaging Ng, Cheuk-Yiu UC Davis 81159 m319 160,000 50 Accurate ab initio Calculations of Energetics and Spectroscopic constants of Molecular Neutrals/Cations/Radicals for comparison with state- of-the-art Experiments Ng, Esmond Berkeley Lab 81493 mp127 15,000 1,000 High Performance Sparse Matrix Algorithms Nikolopoulos, Dimitrios William & 81533 m552 S 20,000 600 MELISSES: Liquid Services Mary for Scalable Multithreaded/Multicore Execution on Emerging Supercomputers Nolen, Jerry Argonne 81211 mp362 265,000 30,000 Rare Isotope Accelerator - Target, Shielding, Fragment Separators and Accelerator Studies Norman, Michael UC San Diego 81575 incite8 I 1,000,000 500,000 Precision Cosmology Using the Lyman Alpha Forest Nozik, Arthur NREL 81239 m72 140,000 15,000 Experimental and Theoretical Studies of Semiconductor Systems for Improved Solar Energy Technologies
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Oberacker, Volker Vanderbilt 81171 m202 40,000 50 HFB nuclear structure Univ calculations up to the neutron dripline, and TDHF fusion calculations for neutron- rich nuclei Oefelein, Joseph Sandia Lab CA 81387 m295 300,000 5,000 Large Eddy Simulation of Turbulence-Chemistry Interactions in BES Target Flames Ogut, Serdar U. Illinois 81573 m567 20,000 2,000 Optical Properties of Chicago Noble Metal Clusters from First Principles Olson, Doug Berkeley Lab 81339 gc5 ppdg 2,300,000 STAR Detector Simulations rhstar and Data Analysis
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
PI, Test NERSC 81135 testmpp 10 10 Test project/repositories Paris, Mark Jefferson Lab 81625 m615 20,000 2,000 Dynamical coupled-channel analysis of excited baryon production Parrish, Ian Princeton 81193 m503 S 20,000 5,000 3D Simulations of the Univ Magnetothermal Instability Parvin, Bahram Berkeley Lab 81544 lowdose 150,000 Mechanism of DNA Damage and Repair Nuclear Imaging of Gene Expression Patague, Larry Math Sci Res 81597 m598 S 50,000 20,000 Data Assimilation for the Inst Carbon Cycle Pattison, Martin Metaheuristic 81620 m611 S 20,000 2,000 Lattice Boltzmann s simulation of magnetohydrodynamic flows Patton, Edward NCAR 81369 m373 10,000 5,000 Numerical simulation of sub-canopy drainage flows and their influence on above-canopy measurements Patton, Edward NCAR 81696 m640 20,000 2,000 Influences of the Boundary Layer Flow on Vegetation- Air Exchanges of Energy, Water and Carbon Dioxide Penner, Joyce U. Michigan 81268 mp231 100,000 25,000 Three-dimensional Global Atmospheric Aerosol and Chemistry Modeling Perlmutter, Saul Berkeley Lab 81370 m219 345,000 15,000 SNAP Simulation and snap Analysis Perlmutter, Saul Berkeley Lab 81475 deepsrch 170,000 Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Pfreundt, Franz-Josef Fraunhofer 81395 m282 5,000 1,000 Integrated Performance ITWM Germany Analysis of Distributed Computer Systems Pieper, Steven Argonne 81249 mp26 49,000 10,000 Exact Calculations of Light Nuclei Using Realistic Interactions Pinar, Ali Berkeley Lab 81391 m475 S 10,000 5,000 Advanced Computational Tools for Electric Power Systems Pindzola, Michael Auburn Univ 81164 m41 1,100,000 4,000 Computational Atomic Physics for Fusion Energy Plewa, Tomasz U. Chicago 81243 m461 452,000 325,000 Thermonuclear Supernovae: Stellar Explosions in Three Dimensions Post, Wilfred Oak Ridge 81472 m540 40,000 200 Global Carbon Cycle Studies: Coupled carbon- cycle climate simulations Potter, Gerald Livermore Lab 81225 mp193 250,000 1,000,000 Program for Climate Model Diagnosis and Intercomparison Pratt, Larry Fisk Univ 81589 incite9 I 100,000 5,000 Reactions of lithium carbenoids, lithium enolates, and mixed aggregates Primack, Joel UC Santa Cruz 81376 mp363 168,000 200,000 Galaxy Formation Simulations Prinz, Fritz Stanford Univ 81642 m622 20,000 100 Solid Oxide Fuel Cell Cathode Catalyst Supports: YSZ and GDC influence on Pt catalysts for oxygen dissociation
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Radhakrishnan, Bala Oak Ridge 81474 m536 90,000 2,000 Structure Property Relationships in Energy and Bulk Nanocrystalline Materials Ram, Abhay MIT 81208 m224 500,000 3,000 Computational studies in plasma physics and fusion energy Randall, David Colorado 81383 m328 500,000 10,000 Super-Parameterization for State ARM Ratcliff, Jay US Army Corps 81572 m566 400,000 5,000 Coastal Storm Surge Engr MVN Analyses Rauchwerger, Lawrence Texas A&M 81440 m493 S 20,000 50 SmartApps: Middle-ware for Univ taxi Adaptive Applications on Reconfigurable Platforms Rehr, John U. Washington 81301 mp313 20,000 50 High Performance Computation of Photon Spectroscopies and Electronic Excited States Rezayi, Edward CSU Los 81486 m404 130,000 1,000 Numerical Studies of Angeles Collective Phenomena in Two-Dimensional Electron Systems Roche, Kenneth Oak Ridge 81397 m397 105,000 150 DOE Matrix / Application Matrix Rollett, Tony Carnegie 81196 mp262 250,000 350 Microstructural Evolution Mellon Based on Fundamental Interfacial Properties: a DOE sponsored Computational Materials Science Network Romanowicz, Barbara UC Berkeley 81549 m554 20,000 2,000 Calibration of 3D Upper Mantle Structure in Eurasia Using Regional and Teleseismic Full Waveform Seismic Data Rowan, William U. Texas 81377 mp285 50,000 100 Turbulence simulation and Austin comparison with measurements on DIII-D and Alcator C-Mod, and new Institute for Fusion Studies and Fusion Research Center projects Rubin, Edward JGI 81181 m342 400,000 Optimizing Genomic Data Storage for Wide Accessibility Ryne, Robert Berkeley Lab 81220 gc2 1,418,000 28,000 SciDAC Advanced Computing for 21st Century Accelerator Science and Technology Project
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Saad, Yousef U. Minnesota 82048 m684 S 20,000 2,000 Pseudopotential Algorithm for Real Space Electronic Calculations Samulyak, Roman Brookhaven 81500 m545 30,000 3,000 Simulation of Free Surface Lab MHD Flows in Tokamak Refueling and Plasma Disruption Mitigation Applications Schaefer, Henry U. Georgia 81246 m170 130,000 500 Computations of Properties to Chemical Accuracy Schatz, George Northwestern 81614 m610 S 20,000 250 Molecular dynamics study of an actin septamer: Testing the Holmes model and the hydrophobic plug loop hypothesis Schiavilla, Rocco Jefferson Lab 81257 m69 45,000 50 Electro-Weak Structure of Light Nuclei Schnack, Dalton SAI San Diego 81337 mp21 800,000 10,000 NIMROD Project: Extended Magnetohydrodynamic Modeling for Fusion Experiments Schnack, Dalton SAI San Diego 81523 mp290 25,000 4,000 Magnetohydrodynamic Codes for Fusion Applications Schneider, Niklas Scripps Inst 81394 m245 1,000 3,500 Predictability and Diagnosis of Low-Frequency Climate Processes in the Pacific Schultz, David Oak Ridge 81166 mp48 175,000 1,000 Theoretical Atomic Physics for Fusion Energy Seidel, Edward Louisiana 81341 m152 404,000 20,000 Black Hole Merger State Simulations Seki, Ryoichi Cal Tech 81396 m451 500,000 5,000 nuclear lattice calculation Sethian, James Berkeley Lab 81639 m621 S 20,000 2,000 Study of Mixing in Geophysical Flows Shapiro, Marjorie Berkeley Lab 81489 cdf 40,000 Physics Analysis of CDF fermi (Collider Detector at Fermilab) Data Shigemitsu, Junko Ohio State 81190 mp268 4,000 30,000 Heavy-Light Physics with NRQCD Heavy and Improved Staggered Light Quarks Simon, Horst Berkeley Lab 81133 mpnersc 20,000 5,000 NERSC Division Guest Accounts Sinclair, Donald Argonne 81206 mp27 967,000 100,000 Lattice Gauge Theory Simulations Singh, David Oak Ridge 81280 mp221 160,000 100 Numerical Simulations of Interfaces, Grain Boundaries, and Nanocrystals Smith, Barry Argonne 81473 mp11 1,000 50 PETSc Development for SciDAC-TOPS and ACTS Smoot, George Berkeley Lab 81488 astrogfs 50,000 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 81200 m538 60,000 50 Hybrid Quantum Mechanics and Molecular Mechanics Study of NOx Reduction with BaY Zeolites Snyder, Philip General 81314 mp94 650,000 35,000 Simulation of Magnetically Atomics Confined Fusion Plasmas Sosonkina, Masha Ames Lab 81231 m419 10,000 1,000 Interoperable software for modern high-performance applications Souza, Ivo UC Berkeley 81423 m418 20,000 100 Computational and theoretical studies of bulk and nano solid systems Sovinec, Carl U. Wisc. 81296 mp200 160,000 2,000 Fluid and Hybrid Modeling Madison of Electromagnetic Activity in MFE Plasmas Spera, Frank UC Santa 81315 m178 150,000 5,000 Large-Scale Molecular Barbara Dynamics of Geomaterials: The Glass Transition, Nanoscale Structure- Property Correlations, Shock Wave Simulations and Role of Water on Liquid Properties at High- Pressure and Applications to Earth and Planets Spong, Don Oak Ridge 81338 mp202 100,000 12,000 Plasma Confinement, Stability, Heating and Optimization in Stellarators and Tokamaks Sposito, Garrison Berkeley Lab 81158 mp47 150,000 100 Clay Mineral Surface Geochemistry Sprangle, Phillip Naval 81480 mp343 16,000 50 High Energy Laser-Driven Research Lab Acceleration Based on the Laser Wakefield Accelerator Srinivasan, Ashok Florida State 81273 m512 S 20,000 50 Parallelization of Time in Long-Time Molecular Dynamics Simulations Stocks, G. Malcolm Oak Ridge 81174 gc4 1,400,000 10,000 Magnetic Materials: Bridging Basic and Applied Science Striolo, Alberto U. Oklahoma 81449 m530 20,000 50 Metal - Carbon Nanotube Composites for Catalytic, Nanoelectronic, and Sensing Devices: a Theoretical Investigation to Guide Experimental Practices Strohmaier, Erich Berkeley Lab 81343 m283 15,000 50 Performance Characterization and Benchmarking of HPC Systems Sukharev, Maxim Northwestern 81168 m508 S 20,000 100 Optimal control of light in nanoscale: nanostructures embedded in nonlinear media
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Tang, Xianzhu Los Alamos 81372 mp204 50,000 1,000 nonlinear studies of Lab magnetically confined plasmas Tang, Xianzhu Los Alamos 81373 m139 15,000 500 Nonlinearly implicit MHD Lab and two-fluids simulation of fusion plasmas Taylor, John Montclair 81499 mp320 5,000 Building a scalable State weather and regional climate modeling system Thakur, Bhupender U. Delaware 81969 m673 S 10,000 400 Density Matrix Renormalization Group method for Large scale nuclear structure calculations. Thumm, Uwe Kansas State 81527 m453 S 20,000 5,000 Quantum Dynamics of Charge Exchange at Surfaces Tokmakian, Robin Naval PS 81329 m528 20,000 16,000 Decadal to century coupled ocean/ice simulations at high resolution (0.20) and using an innovative geodesic grid in a coupled ocean/ice/atmosphere simulation Toon, Owen U. Colorado 81324 mp192 20,000 6,000 Large-eddy simulations of Boulder aerosol-cloud interactions Toussaint, Doug U. Arizona 81286 mp13 2,250,000 4,000 Quantum Chromodynamics with three flavors of dynamical quarks
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Vahala, George William & 81409 mp32 350,000 3,000 Lattice Boltzmann Mary Simulations for Plasmas Vary, James Iowa State 81392 m94 1,456,000 5,000 Structure and Reactions of Hadrons and Nuclei; Non- perturbative Solutions of Strongly Interacting Fields
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Wang, Haobin New Mexico 81157 m93 160,000 100 Quantum and Semiclassical State Study of Charge and Energy Tranfers in the Condensed Phase Wang, Lin-Wang Berkeley Lab 81498 mp304 270,000 10,000 Large scale nanostructure electronic structure calculations Ware, Andrew U. Montana 81433 mp205 6,000 100 Theory of Turbulent Heat and Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators Washington, Warren NCAR 81292 mp9 1,802,000 400,000 Climate Change Simulations with CCSM3: Moderate and High Resolution Studies Weber, William PNNL 81326 mp148 78,000 1,000 Defects, Defect Processes, and Ion-Solid Interactions in Ceramics Weinert, Michael U. Wisc. 81325 mp330 40,000 150 Electronic Structure of Milwaukee Alloys, Surfaces, and Nanostructures Weitzner, Harold New York Univ 81187 mp338 65,000 4,000 Advanced Toroidal Theory and Computation Weitzner, Harold New York Univ 81188 m191 15,000 50 Advanced Stellarator Theory Wellein, Gerhard RRZ Erlangen 81683 m635 S 20,000 1,000 Application Performance Germany Characteristics of Leading Edge Supercomputers Wells, Jack Oak Ridge 81466 m534 20,000 50 Probing Mechanisms for the Synthesis of Nanomaterials Wen, Zhaofang Sandia Lab NM 81380 m407 S 20,000 1,000 Application Performance Analysis of Unified Parallel C Werthimer, Dan UC Berkeley 81540 seti 500,000 Berkeley High Resolution Neutral Hydrogen Sky Survey White, Martin UC Berkeley 81160 m68 134,000 3,000 Constraining dark energy with clusters of galaxies Whitesides, George Harvard Univ 81426 m462 S 20,000 5,000 Molecular Dynamics Simulations of the Effects of Surface Charges upon the Stability of Bovine Carbonic Anhydrase II Wiley, James U. Texas 81189 mp77 15,000 3,000 Comprehensive modelling Austin and transport studies at the Institite for Fusion Studies Wilkins, John Ohio State 81345 mp160 150,000 100 Modeling Dynamically and Spatially Complex Materials Williamson, Andrew Livermore Lab 81467 m337 170,000 100 Quantum Monte Carlo Simulations of Nanostructured Materials Wood, Brandon MIT 81568 m563 S 20,000 2,000 A First-principles Dynamics Study of Superionic Conductivity Woodruff, Simon U. Washington 81661 m633 S 20,000 3,000 High energy collisions and compression of field reversed configurations Woosley, Stan UC Santa Cruz 81149 m106 1,649,000 70,000 The UCSC/UA/LANL/LLNL Supernova Science Center Wu, Jianzhong UC Riverside 81622 m618 20,000 2,000 Theory and simulation of polyelectrolyte brushes Wu, Meng-Shiou Ames Lab 81917 m664 S 20,000 100 Computational Quality of Service for Chemistry Software Wu, Ruqian UC Irvine 81460 m532 50,000 1,000 First Principles Exploration for the Origin of Ferromagnetism in Diluted Magnetic Semiconductors Wu, Ruqian UC Irvine 81492 mp244 130,000 100 First Principles Investigations and Simulations for Catalytic Properties of Metal/Oxide Surfaces Wuebbles, Donald U. Illinois 81332 mp79 250,000 45,000 Parallel modeling of U-C climate, chemistry, and physics affecting the global atmosphere
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Yang, Wei Florida State 81136 m522 S 20,000 5,000 Molecular Simulation Study of Mechanism of MutY Adenine DNA Glycosylase Yarkony, David Johns Hopkins 81434 m488 S 20,000 1,000 Intersections of 3 Univ electronic states in 2- methyl-1,3,5-triazine Yelick, Katherine Berkeley Lab 81513 mp215 45,500 2,500 UPC and Titanium Yeung, Pui-kuen Georgia Tech 81288 m442 260,000 65,000 High-Resolution Simulation of Mixing and Reaction in Turbulent Flow Yu, Rong Berkeley Lab 82054 m686 S 20,000 1,000 Computation of Proton Transfer Mechanisms in Ceramics Yunn, Byung Jefferson Lab 81309 m216 4,000 200 Accelerator Physics Studies of Applications of Superconducting Linacs
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Zapol, Peter Argonne 81509 m441 90,000 50 Soft/hard interfaces in nanomaterials Zapol, Peter Argonne 81511 m548 30,000 50 Computational studies of Electrocatalysis for Low Temperature Fuel Cell Cathodes Zhang, Keni Berkeley Lab 81631 m620 S 15,000 50 Numerical investigation of long-term fate of CO2 plumes stored in saline formations Zhang, Shengbai NREL 81240 mp252 190,000 25,000 Semiconductor doping bottleneck and novel ordered alloy research Zhang, Xiao-Feng Berkeley Lab 81306 m403 20,000 2,000 Computation of Proton Transfer Mechanisms in Ceramic Materials Zhang, Yeliang U. Arizona 81569 m564 S 19,000 2,000 Physics Aware Runtime System Zhang, Yeliang U. Arizona 81586 m574 S 20,000 2,000 Towards an Automatic and Application-Based Eigensolver Selection Zhang, Yongxin Los Alamos 81623 m613 S 20,000 2,100 Effects of Aerosols on Lab Climate and Climate Change Zhang, Zhenyu Oak Ridge 81415 m108 220,000 100 First principles studies of formation, stability and transport properties of surface based nanostructures Zhu, Ping U. Wisc. 81562 m572 S 20,000 2,000 Extended MHD Simulations Madison of Nonlinear Ballooning Instability in Fusion and Space Plasmas Zunger, Alex NREL 81289 mp70 100,000 500 Computational Semiconductor Physics Zunger, Alex NREL 81295 m346 250,000 250 Predicting the electronic Properties of 3D, Milion- Atom Semiconductor Nanostructure Architectures Zyla, Piotr Berkeley Lab 81439 pdg 10,000 Particle Data Group Zyla, Piotr Berkeley Lab 81454 e871 150,000 HyperCP (FNAL E871)
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