2008 Initial Allocations Awards
The following table lists the allocation awards for NERSC for the 2008 allocation year (Jan 8, 2008 through Jan 12, 2009). The list is in alphabetical order by the last name of the Principal Investigator.If you have any questions about your allocation, see NERSC Monitor Contact Information.
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
Adams, Paul Berkeley Lab 82625 m811 1,600,000 80,000 The Joint Bioenergy Institute (JBEI) Agarwal, Deborah Berkeley Lab 82542 m510 25,000 30,000 Berkeley Water Center Agarwal, Deborah Berkeley Lab 82616 mpdsd 10,000 100,000 CRD Distributed Systems Department Guest Accounts Al-Jassim, Mowafak NREL 82189 mp308 160,000 500 Theoretical simulations of effects of extended and point defects on the properties of advanced materials Aldering, Greg Berkeley Lab 82322 m112 40,000 1,600,000 The Nearby Supernova snfactry Factory Alhassid, Yoram Yale Univ 82539 mp69 450,000 1,000 Statistical Many-Body Studies of Nuclei and Quantum Dots Alivisatos, Paul Berkeley Lab 82385 m387 600,000 10,000 Theory of nanostructured materials Andersen, Richard Berkeley Lab 82599 m782 50,000 500 Quantum Mechanical Studies of how Organometallic compounds of the actinide metals utilize their 5f and 6d orbitals in bonds to CO and related ligands Andricioaei, Ioan U. Michigan 82280 m739 7,000,000 25,000 Energetics of the Mechano- Chemical Coupling in DNA- Protein and DNA- Nanoparticle Complexes Annamalai, H. U. Hawaii 82443 m774 50,000 6,000 Future Projections of Mean and Variability of the Asian summer monsoon and Indian Ocean climate system Arons, Jonathan UC Berkeley 82297 m677 1,000,000 25,000 Particle acceleration in astrophysical collisionless shocks Aspuru-Guzik, Alan Harvard Univ 82559 m702 S 45,000 3,500 Computational design of novel organic photovoltaic materials with improved hole- and electron- transport properties. Autrey, Tom PNNL 82676 m852 S 20,000 500 Control of Hydrogen Release and Uptake in Condensed Phases Aydemir, Ahmet U. Texas 82550 mp77 25,000 2,000 Comprehensive modeling and Austin transport studies at the Institute for Fusion Studies
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Babikov, Dmitri Marquette 82324 m409 1,000,000 5,000 Coherent Control of Ground Univ Electronic State Molecular Dynamics: Toward Bond Selective Chemistry. Baddourah, Majdi Saudi Aramco 82680 m854 S 40,000 500 Benchmark of POWERS Oil Simulator Baden, Scott UC San Diego 82641 m821 S 30,000 100 Non-SPMD graph-based execution Baer, Ferdinand U. Maryland 82307 mp188 80,000 20,000 Multi-resolution climate modeling with the spectral element method Bagchi, Prosenjit Rutgers Univ 82600 m798 S 50,000 2,000 Massively large simulation of dense suspension of deformable particles/drops/bubbles Bai, Zhaojun UC Davis 82238 m746 50,000 1,000 Next Generation Multit- Scale Quantum Simulation Software for Strongly Correlated Materials Bailey, David Info Sciences 82270 m88 200,000 1,000 The Performance Inst Engineering Research Institute Bailey, David Berkeley Lab 82420 mp207 20,000 100 Experimental Mathematics and High-Precision Software Balaji, V Princeton 82434 m743 17,000,000 50,000 Coupled High-Resolution Univ Modeling of the Earth System Balasubramanian, Krishnan CSU East Bay, 82210 m719 500,000 500 Electronic Structure of Hayward Tranisition Metal Clusters and Environmental Actinide Complexes Balbuena, Perla Texas A&M 82331 m668 300,000 1,000 Catalyzed growth of carbon Univ nanotubes Balbuena, Perla Texas A&M 82349 m249 2,000,000 10,000 Computational chemistry Univ search of efficient catalysts Bansil, Arun Northeastern 82204 m225 100,000 2,000 Correlation Effects, Magnetism, and Spectroscopy of Complex Materials, including Nanosystems Barad, Michael Stanford Univ 82151 m502 3,000,000 40,000 Multiscale Simulations of Oceanic Internal Gravity Waves Baron, Edward U. Oklahoma 82192 mp90 400,000 20,000 Synthetic Spectra of Astrophysical Objects Bartschat, Klaus Drake Univ 82695 m864 S 50,000 500 High-precision calculations for electron and photon interactions with atoms and ions Batista, Victor Yale Univ 82511 m410 300,000 1,000 QM/MM Studies of High- Valent Manganese Complexes Batista, Victor Yale Univ 82533 mp311 600,000 1,000 Simulations of electron- hole relaxation dynamics on functionalized TiO2- anatase surfaces Behling, Pat U. Wisc. 82464 m285 200,000 75,000 Towards the prediction of Madison decadal to mult-century processes in a high- throughput climate system model Bell, John Berkeley Lab 82344 mp111 12,000,00 3,000,000 Applied Partial Differential Equations Center Bell, John Berkeley Lab 82635 incite16 I 22,000,00 2,000,000 Interaction of Turbulence and Chemistry in Lean Premixed Laboratory Flames Benedek, Roy Argonne 82219 mp169 100,000 500 First Principles Calculations for Lithium- Ion Battery Electrodes and Electrode Coatings Berg, Bernd Florida State 82667 m839 S 25,000 10,000 Deconfined Equilibrium with Confined Boundary Conditions in SU3 Lattice Gauge Theory Bergmann, Dan Livermore Lab 82341 mp163 150,000 20,000 Atmospheric Formation, Transformation, and Radiative Forcing of Acid- Catalyzed Secondary Organic Aerosols Bethel, Edward (Wes) Berkeley Lab 82282 m636 50,000 200,000 SciDAC2 Visualization and Analytics Center for Enabling Technologies Bhattacharjee, Amitava U. New 82294 m148 600,000 50,000 Center for Integrated Hampshire Computation and Analysis of Reconnection and Turbulence Boman, Erik Sandia Lab NM 82446 m708 S 10,000 1,000 Combinatorial scientific computing: load balancing and matrix ordering. Bonoli, Paul MIT 82166 m77 3,000,000 2,000 Center for Simulation of Wave-Plasma Interactions: SciDAC Project Borrill, Julian Berkeley Lab 82195 mp107 800,000 200,000 Cosmic Microwave Background Data Analysis For Sub-Orbital Experiments Borrill, Julian Berkeley Lab 82197 planck 2,000,000 500,000 Cosmic Microwave Background Data Analysis For The Planck Satellite Mission Borrill, Julian Berkeley Lab 82655 cmbpol S 50,000 5,000 Simulations and analyses for CMBpol mission concept studies Bowman, Joel Emory Univ 82200 m651 3,500,000 2,000 Theoretical studies of combustion dynamics Braams, Bastiaan Emory Univ 82534 m631 1,250,000 2,000 Hydrocarbons in plasma Branstetter, Marcia Oak Ridge 82507 m543 20,000 1,000 River Transport and Hydrology in CCSM Brieger, Leesa Renaissance 82543 m736 S 50,000 8,000 Impact of Cumulus Comp Inst Parameterization Schemes on 4 km Simulations Bringa, Eduardo Livermore Lab 82485 mp43 120,000 15,000 Microstructure evolution in irradiated materials Broadbelt, Linda Northwestern 82394 m763 185,000 100 Mapping the Oxidative Dehydrogenation of Cyclohexane on Metal Oxide Surfaces Using Density Functional Theory Brown, Eric Loyola U. 82567 m597 160,000 100 Ab Initio Study of the Chicago Nonlinear Optical Response Properties of Extended Chromophores Brown, Virginia MIT 82469 m173 2,000 1,000 Electroweak and Electromagnetic Interactions in the Nucleon-Nucleon System; Pion Production Bruhwiler, David Tech-X Corp 82380 m327 1,500,000 2,000 Parallel Simulation of Electron Cooling Physics and Beam Transport Burns, Patrick Colorado 82561 m723 S 10,000 1,000 Processing National Animal State Identification System Data
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Cameron-Smith, Philip Livermore Lab 82483 m411 500,000 300,000 Interaction of Atmospheric Chemistry and Aerosols with Climate Canning, Andrew Berkeley Lab 82527 m619 S 20,000 1,000 EAD289C UC Davis graduate course in Computational Modelling Canning, Andrew Berkeley Lab 82528 m126 300,000 20,000 Mathematical/Computational Methods for Electronic Structure Codes in Nanoscience Carlson, Joseph U. Washington 82224 m308 3,000,000 10,000 Low-Energy Nuclear Physics National HPC Initiative: Building a Universal Nuclear Energy Density Functional Carrington, Laura SDSC 82675 m849 S 50,000 5,000 Using Performance Modeling to Enable High-Frequency Simulations of Global Seismic Wave Propagation Cassak, Paul West Virginia 82696 m866 S 50,000 5,000 Onset and Evolution of Univ Magnetic Reconnection in Three Dimensions Cattaneo, Fausto U. Chicago 82537 m557 50,000 50,000 Magneto-rotational instability and turbulent angular momentum transport Cessi, Paola Scripps Inst 82556 m699 14,625,00 5,000 The Role of Eddies in the Meridional Overturning Circulation Chan, Yuen-Dat Berkeley Lab 82472 babar 70,000 Storage for Nuclear e895 Physics Computations using e896 PDSF at NERSC mp46 na49 nsd rhicthry sno Chan, Yuen-Dat Berkeley Lab 82541 majorana 20,000 Majorana - Neutrinoless Double Beta Decay Chang, Choong-Seock Courant Inst 82501 m499 4,000,000 100,000 Center for Plasma Edge Simulation: SciDAC FSP Prototype Center Chelikowsky, James U. Texas 82378 m433 1,500,000 7,000 Scalable Methods for Austin Electronic Excitations and Optical Responses of Nanosctructures: Mathematics to Algorithms to Observables Chelikowsky, James U. Texas 82384 m175 500,000 5,000 Electronic, Magnetic and Austin Structural Properties of Localized Systems Chen, Jacqueline Sandia Lab CA 82518 mp241 13,000,00 400,000 Direct Numerical Simulations of Clean and Efficient Combustion with Alternative Fuels Chen, Liu UC Irvine 82289 m92 2,500,000 10,000 Nonlinear Instability and Turbulent Transport Simulations Chen, Yang U. Colorado 82320 mp118 1,000,000 2,000 Gyrokinetic simulation of Boulder plasma microturbulence and kinetic MHD phenomena Chen, Yixin Washington 82560 m718 S 20,000 3,500 Efficient Large-Scale Univ StLouis Nonlinear Constrained Optimization Using Constraint Partitioning Cheng, Hai-Ping U. Florida 82409 mp261 1,000,000 5,000 Multiscale Simulations of Particle-, Molecule- Surface Interactions, simulations of nanowires: Structure, dynamics, and quantum transport, and structure and electronic structure of cuprates Childs, Hank Livermore Lab 82508 visit S 30,000 1,000 VisIt Ching, Wai-Yim U. Missouri 82167 mp250 2,500,000 500 Theoretical Studies of the KC Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials Chou, Mei-Yin Georgia Tech 82291 m663 80,000 5,000 Phase Stability and Reaction Dynamics of Metal Hydrides Chou, Mei-Yin Georgia Tech 82292 mp258 140,000 5,000 First-Principles Investigation of Complex Materials Properties Choudhary, Alok Northwestern 82668 m844 300,000 100 Parallel I/O software infrastructure for large- scale systems Chow, Fotini UC Berkeley 82681 m859 50,000 5,000 atmospheric dispersion modeling with large eddy simulation Chrzan, Daryl Berkeley Lab 82444 mp110 350,000 100 Computational Materials Science Chu, Jhih-Wei UC Berkeley 82601 m787 50,000 2,000 Multiscale Molecular Modeling of Collagen Fibers and its Superstructures Chuang, Catherine Livermore Lab 82248 m428 250,000 100,000 Aerosol Forcings and Consequences on Climate Changes Cohen, Bruce Livermore Lab 82171 gc3 4,000,000 50,000 Magnetic Fusion Plasma Microturbulence Project Cohen, Bruce Livermore Lab 82172 mp2 500,000 30,000 LLNL MFE Supercomputing Cohen, Marvin Berkeley Lab 82190 mp173 650,000 20,000 Ab Initio Prediction of Structural and Electronic Properties of Materials Collins, William Berkeley Lab 82653 m833 S 50,000 10,000 Integrated Earth Systems Climate Modeling and Analysis Colvin, Michael UC Merced 82245 m732 550,000 100 Comparative Study of Unstructured Proteins Using All-Atom and Coarse- Grained Molecular Dynamics Compo, Gil U. Colorado 82269 incite11 I 18,600,00 1,000,000 The 20th Century Boulder Reanalysis Project Comstock, Jennifer PNNL 82340 m738 500,000 8,000 Cloud Resolving Modeling of Tropical Deep Convection Cramer, Stephen Berkeley Lab 82649 m828 S 50,000 2,000 Molecular Force Field and DFT Calculations of Normal Mode Structure in Fe-S Cluster Enzymes Craven, Mark U. Wisc. 82608 m804 250,000 100 Learning Inference of Madison Probabilistic Models of Gene-Regulatory Networks Cui, Qiang U. Wisc. 82607 m803 750,000 500 Analysis and engineering Madison of metal binding selectivity in proteins Cummings, Peter Vanderbilt 82261 mp138 500,000 5,000 Molecular-Based Simulation Univ of Complex and Nanostructured Fluids Cummings, Peter Oak Ridge 82371 m535 600,000 5,000 Large scale quantum transport: designing new molecular electronic devices at realistic length scale Curtiss, Larry Argonne 82454 m440 200,000 500 Catalytic Reaction Mechanisms in Nanoporous Membranes
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
D'Ippolito, Daniel Lodestar 82249 m376 500 500 Edge, SOL and Divertor Corp. Modeling Daggett, Valerie U. Washington 82376 m559 10,000,00 50,000 Molecular Dynameomics Davidson, Ronald PPPL 82293 m74 400,000 10,000 Nonlinear Delta-f Particle Simulation of Collective Effects for Heavy Ion Fusion Drivers and High Intensity Particle Accelerators Davidson, Ronald PPPL 82492 m314 70,000 500 Simulations of Field- Reversed Configuration and Other Compact Tori Plasmas Daw, Murray Clemson Univ 82304 m638 150,000 500 Theoretical modeling of thermoelectric materials De Jong, Wibe PNNL 82231 mp15 400,000 500 EMSL Molecular Science Software Capability Development, NERSC Performance Improvement, and Benchmarking De Jong, Wibe PNNL 82658 m834 50,000 5,000 Modeling the Influence of Solution Phase and Interfacial Structure on the Stability of Actinide Oxidation States DeWeaver, Eric U. Wisc. 82520 m431 50,000 15,000 Dynamics of Arctic and Madison sub-Arctic climate and atmospheric circulation: diagnosis of mechanisms and biases using data assimilation Dean, David Oak Ridge 82214 m203 1,500,000 1,000 Computational nuclear many-body problem Dean, Michael Nat Inst 82551 m724 S 20,000 1,000 Using HapMap Data for Health Human Recombination Mapping Demmel, James UC Berkeley 82547 mp156 50,000 10,000 Linear Algebra Algorithms on High Performance Computers Derenzo, Stephen Berkeley Lab 82523 m551 300,000 10,000 Electronic structure calculations of new scintillator materials Detmold, William U. Washington 82475 m789 3,400,000 40,000 Physics of bottom baryons in lattice QCD Devereaux, Thomas SLAC 82426 m772 400,000 200 Simulation of Photon Spectroscopies for Correlated Electron Systems Diachin, Lori Livermore Lab 82611 m802 S 20,000 100 Iteroperable Technologies for Advanced Petascale Simulations Diamond, Pat UC San Diego 82484 m786 3,500,000 50,000 Fusion SciDAC: Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas Dimitrov, Dimitre Tech-X Corp 82415 m446 120,000 6,600 3D Modeling of an Electron Gun with a Diamond Amplifier Dobrovitski, Viatcheslav Ames Lab 82235 m652 150,000 500 Quantum control of spin dynamics Doniach, Sebastian Stanford Univ 82490 m661 80,000 500 Electrostatic and Conformational Entropy Effects in Structured Nucleic Acid Systems Dorland, William UCLA 82286 m414 3,000,000 50,000 Fusion Science Center For Multiscale Plasma Dynamics Dorland, William U. Maryland 82422 mp217 2,500,000 200,000 Turbulence, Transport and Magnetic Reconnection in High Temperature Plasma Dorr, Milo Livermore Lab 82441 m785 400,000 200,000 High-Resolution Methods for Phase Space Problems in Complex Geometries Drake, John Oak Ridge 82571 m659 1,000,000 150,000 A Scalable and Extensible Earth System Model for Climate Change Science Drazer, German Johns Hopkins 82678 m851 S 50,000 5,000 Separation of Univ nanoparticles using anisotropic microfluidic devices: multiscale simulations Dunietz, Barry U. Michigan 82546 m467 50,000 100 Ab-initio design of molecular scale electronic devices and materials for alternative fuel technology. Dupuis, Michel PNNL 82396 m544 400,000 1,000 Charge Transfer, Transport, and Reactivity in Complex Environments. Dutoi, Anthony Northwestern 82624 m809 50,000 2,000 The Electron Dynamics behind Molecular High Harmonics Generation
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Elster, Charlotte Ohio Univ 82360 mp20 150,000 500 Three Nucleon Scattering and Bound State Calculations in Three Dimensions
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Faller, Roland UC Davis 82354 m474 100,000 100 Polymers in confined geometries Fast, Jerome PNNL 82308 m754 200,000 190,000 Regional Multi-scale Modeling of Aerosol Radiative Impact on Climate Fawley, William Berkeley Lab 82218 mp197 2,000 100 Numerical Simulation of Short-Wavelength Free- Electron Lasers for Future Light Sources Felmy, Andrew PNNL 82544 mp119 500,000 100 Computational Studies in Molecular Geochemistry Feng, Wu-chun Virginia Tech 82554 m725 100,000 5,000 Scalable Genomic-Search Software Architectures Fleming, Graham Berkeley Lab 82424 mp364 500,000 15,000 Simulations of nonlinear optical spectra and energy transfer dynamics of photosynthetic light- harvesting complexes. Fox-Rabinovitz, Michael U. Maryland 82315 m527 500,000 400,000 Decadal Climate Studies with Enhanced Variable and Uniform Resolution GCMs Using Advanced Numerical Techniques Franceschetti, Alberto NREL 82373 m352 300,000 100 Electronic excited states in semiconductor quantum dots Freedman, Stuart Berkeley Lab 82367 kamland 4,000,000 Data Analysis and Simulations for KamLAND Freedman, Stuart UC Berkeley 82395 cuore 15,000 Data Analysis and Simulation for the CUORE Neutrinoless Double Beta Decay Experiment Freeman, Arthur Northwestern 82457 mp134 915,000 500 Electronic Structure and Novel Properties in Complex Oxides and Hetero- interfaces Fridlind, Ann NASA GISS 82665 m843 100,000 500 Arctic Stratus and Tropical Deep Convection: Integrating Measurements and Simulations Friedman, Alex Livermore Lab 82389 mp42 300,000 6,000 Simulation of intense beams for heavy-ion-fusion science Fung, Inez UC Berkeley 82557 m189 1,000,000 60,000 Carbon Data Assimilation with a coupled Ensemble Kalman Filter Furman, Miguel Berkeley Lab 82529 mp93 10,000 500 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 82525 m542 950,000 500 First principles simulations of nanostructures Gao, Michael Carnegie 82613 m806 S 20,000 100 First Principles Design of Mellon Al Alloys of High Corrosion Resistance Garfinkel, Alan UCLA 82250 m287 10,000 500 Mathematical Modeling of Cardiac Arrhythmias Garrett, Bruce PNNL 82499 mp329 1,500,000 500 Chemical reactivity, solvation and multi- component heterogeneous processes in aqueous environments Gascon, Jose U. 82572 m601 20,000 500 Quantum Mechanical Connecticut derivation of large scale polarization effects in bio-macromolecules: Application to protein ion channels and protein- protein association. Gatica, Silvina Howard Univ 82230 m667 S 10,000 100 Molecular Adsorption on Nanostructures Geddes, Cameron Berkeley Lab 82358 m558 10,000,00 100,000 Particle simulation of laser wakefield particle acceleration Geissler, Phillip UC Berkeley 82314 m628 350,000 1,000 Rare but dramatic evolutionary events in a microscopic model of protein-like chain molecules Gel, Aytekin Morgantown 82632 m813 S 20,000 1,000 Performance Improvement of ETC MFIX with scalable linear equation solvers (hypre) Glimm, James SUNY Stony 82576 mp123 50,000 18,000 Front Tracking Simulations Brook of DOE SciDAC priority Problems Gohar, Yousry Argonne 82217 m259 30,000 500 ANL Fusion Program Goldschmidt, Yadin U. Pittsburgh 82246 m516 150,000 1,000 Simulations of flux lines in high temperature superconductors with random pins Gratta, Giorgio Stanford Univ 82168 saund S 8,000 Study of Acoustic Underwater Neutrino Detection Gray, Stephen Argonne 82263 m430 800,000 5,000 Nanoscale Electrodynamics Gray, Stephen Argonne 82264 mp166 150,000 5,000 Quantum Dynamics of Chemical Reactions Greene, Chris U. Colorado 82290 mp318 55,000 100 Molecular Dissociation by Boulder Electron Impact Grossman, Jeffrey UC Berkeley 82348 m655 1,500,000 1,000 Quantum Simulations of Nanoscale Solar Cells Grosvenor, Allan Ramgen Power 82633 m814 S 20,000 1,000 Accelerated Design Space Sys Search and Optimization for Computational Fluid Dynamics Applications in Turbomachinery Guo, Hua U. New Mexico 82153 m627 400,000 100 Quantum dynamics of combustion reactions Guo, Jinghua Berkeley Lab 82545 m705 S 20,000 100 Electronics structure study of hydrogen adsorption on carbon nanotubes and conductivity in DNA Gutowski, William Iowa State 82251 m612 85,000 5,000 Continuous Dynamic Grid Adaptation in a Global Atmospheric Model
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Haas, Stephan U. South 82519 m157 200,000 100 Quantum Spin Systems with California Geometric Frustration in High Magnetic Fields Hammond, Jeff U. Chicago 82256 m750 250,000 100 QM/MM simulation of nonlinear optical and Raman spectroscopy of molecules in solution using coupled-cluster response theory Harmon, Bruce Ames Lab 82400 mp344 1,500,000 500 Electronic and structural properties of surfaces and interfaces Harmon, Bruce Ames Lab 82476 mp101 50,000 500 Photonic Band Gap Materials Harris, Charles UC Berkeley 82306 m399 300,000 500 Computational Modeling and Simulation of Organometallic Complexes in Solution Hastings, Gary Georgia State 82646 m825 S 20,000 2,000 Calculation of the chemical properties of cofactors involved in solar energy conversion in photosynthetic reaction centers Head-Gordon, Martin Berkeley Lab 82265 mp54 1,000,000 1,000 Electronic structure and simulation calculations of reactive chemical systems Head-Gordon, Teresa Berkeley Lab 82278 m506 750,000 1,000 Simulation Studies of Bulk Water and Hydration Water at Interfaces Head-Gordon, Teresa UC Berkeley 82279 mp53 1,500,000 1,000 New Global Optimization Approaches for Protein Structure Prediction Head-Gordon, Teresa UC Berkeley 82471 m657 1,500,000 1,000 Advanced Theoretical Models to Characterize the Alzheimers Abeta Peptide Head-Gordon, Teresa Berkeley Lab 82500 m707 S 10,000 2,000 BE143/243: Class Competition in Molecular Simulation Held, Eric Utah State 82448 m127 300,000 1,000 Application of Parallel Kinetic Closures in NIMROD for Fusion Plasma Simulations Hingerty, Brian Oak Ridge 82311 mp106 500 1,000 Crystallographic, NMR and Molecular Modeling Calculations of Carcinogen Modified DNA, Protein-DNA Complexes and Cyclodextrin Inclusion Complexes Ho, Kai-Ming Ames Lab 82402 m529 300,000 600 Multiscale Studies of the Formation and Stability of Surface-Based Nanostructures (a CMSN Project) Hoffmann, Roald Cornell Univ 82670 m846 S 50,000 5,000 Computational Studies of Geometric and Electronic Structures of Catalysts under Uniaxial Stress Hwang, David UC Davis 82629 m807 S 20,000 500 Computer Simulation of the UC Davis Compact Toroid (CTIX) Accelerator
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Im, Hong U. Michigan 82273 incite12 I 2,000,000 500,000 Direct Numerical Simulation of Turbulent Flame Quenching by Fine Water Droplets Im, Hong U. Michigan 82346 m217 1,000,000 50,000 High-Fidelity Direct Numerical Simulations of Turbulent Combustion with Soot, Radiation, and Spray Interaction Izzo, Valerie General 82433 m455 600,000 100 Disruption and disruption Atomics mitigation simulations
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Jacobs, Peter Berkeley Lab 82202 alice 50,000 500,000 Data analysis and simulations for the ALICE experiment at the LHC Jardin, Stephen PPPL 82178 mp288 4,000,000 10,000 3D Extended MHD simulation of fusion plasmas Jardin, Stephen PPPL 82194 mp286 250,000 10,000 Analysis and Design of Stellarator Configurations Jardin, Stephen PPPL 82386 mp287 500,000 4,000 Magnetic Reconnection Studies and Pellet Injection in Tokamaks using AMR Jellinek, Julius Argonne 82347 m196 480,000 500 Structure, Energetics and Dynamics of Metal, Including Alloy, Nanoparticles; Interactions of Clusters with Molecules and Surfaces Jena, Puru Virginia Comm 82671 m847 1,000,000 500 Carbon-based materials for Univ high density hydrogen storage Ji, Chueng Ryong North 82258 m230 2,000 5,000 Quantum Chromodynamic Carolina Analysis of Hadron State Structure and Application to Cosmology Jiang, De-en Oak Ridge 82184 m697 350,000 350 Computational study for chemistry of novel separations Johnson, Donald U. Wisc. 82455 m167 75,000 14,000 Coupled Climate - Madison Chemistry Modeling Juang, Hann-Ming Henry NOAA 82312 m685 S 20,000 1,000 Ensemble Regional Seasonal Forecast over USA by NCEP Regional Spectral Model Judd, Eleanor UC Berkeley 82319 euso 2,000 Extreme Universe Space Observatory
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Kalinichev, Andrey Michigan 82594 m645 70,000 100 Molecular Dynamics of State Geologically Important Fluids and Mineral-Fluid Interfaces Karplus, Martin Harvard Univ 82232 gc8 1,500,000 70,000 Simulating biological processes of interest to biofuels, including chemomechanical coupling in ATP regulated molecular motors, fidelity in DNA replications, structure- function relationships, free energies and dynamical coupling in signal transduction. Katsouleas, Thomas U. South 82196 mp275 150,000 1,000 Program for Plasma-Based California Concepts for Future High- Energy Accelerators Kenny, Joseph Sandia Lab CA 82654 m832 S 25,000 500 Chemistry Framework using Common Component Architecture Kent, Paul Oak Ridge 82577 m526 12,500,00 25,000 Computational Resources for the Nanomaterials Theory Institute at the Center for Nanophase Materials Sciences Kerr, Christopher NOAA GFDL 82697 m865 50,000 1,000 Scaling Studies of the Modular Ocean Model and the Cubed-Sphere Atmospheric Model. Ketterson, John Northwestern 82627 m800 46,000 100 Sensors based on plasmon- resonant hole arrays Keyes, David Columbia Univ 82596 m125 10,000 100 Towards Optimal Petascale Simulations Kim, Kwiseon NREL 82401 m514 300,000 100 Electronic structure and reactivity of FeFe- hydrogenase metalloclusters Kim, Kwiseon NREL 82491 m322 550,000 5,000 Nanoscience Parallel Optimization Algorithms Kiryluk, Joanna Berkeley Lab 82488 icecube 7,000 Simulation and Analysis for IceCube Klein, Richard UC Berkeley 82332 m231 1,000,000 70,000 Low-Mass Star Formation with Radiative Transfer Ko, Kwok SLAC 82201 m349 1,050,000 10,000 Advanced Modeling for Particle Accelerators Kogan, Boris UCLA 82206 mp66 25,000 500 Fibrillation and defibrillation of cardiac simulated tissue in the presence of Ca-induced early and delayed after depolarizations. Koplik, Joel City College 82298 mp247 270,000 20,000 Particulate transport in NY self-affine fractures Kotamarthi, V. Rao Argonne 82562 m184 50,000 1,000 High-Spatial Resolution Models of Atmospheric Chemistry, Aerosols for Regional Scale Climate Simulations Krakauer, Henry William & 82578 m393 200,000 100 Quantum Monte Carlo Mary studies Kral, Petr U. Illinois 82199 m624 600,000 100 Multiscale Modeling of Chicago Molecular Transport in Nanofluidic Systems Kramer, William NERSC 82377 noexp 1,000 20,000 NERSC overhead account for norepo users with no active repo Kramer, William Berkeley Lab 82618 mphpcd 20,000 1,000 NERSC High Performance Computing Department Guest Accounts Kritz, Arnold Lehigh Univ 82414 m649 400,000 8,000 Integrated modeling simulations for the plasma edge Kronik, Leeor Weizmann Inst 82570 m716 150,000 1,800 GW calculations of Science magnetic materials Kronik, Leeor Weizmann Inst 82636 incite17 I 810,000 20,000 Understanding the Science electronic structure of novel electronic materials using many-body perturbation theory Krueger, Steven U. Utah 82532 m205 20,000 10,000 Simulating Cloud Systems Kruger, Scott Tech-X Corp 82460 m681 100,000 50,000 Fusion Application for Core-Edge Transport Simulations Kruger, Scott Tech-X Corp 82470 mp21 1,500,000 12,000 NIMROD Project: Extended Magnetohydrodynamic Modeling for Fusion Experiments Kurien, Susan Los Alamos 82650 m829 S 50,000 5,000 Numerical Study of Lab Multiscale Coupling in Low-Aspect Ratio Rotating Stratified Turbulence Kwon, Young-Kyun UMass Lowell 82453 m775 100,000 4,000 Structural and Optical Properties of Novel Nanostructured Materials for Sustainable Energy Application Kwon, Young-Kyun UMass Lowell 82458 m599 150,000 6,000 Computational Modeling and Design for Nanotechnology and Nanomanufacturing.
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Lacis, Andrew NASA GISS 82439 m238 20,000 500 Theoretical Calculation of Water Vapor Continuum Absorption Lamarque, Jean-Francois NCAR 82503 m330 500,000 25,000 Simulation of 20th-century and 21st-century climate and composition with interactive chemistry in CAM3: identifying the role of climate and climate composition in observed trends and air quality Lamb, Don U. Chicago 82513 m815 3,000,000 1,000,000 Validation Study of Fundamental Properties of Type Ia Supernovae Models Landman, Uzi Georgia Tech 82243 mp97 350,000 30,000 Quantum and classical simulations of clusters, self-assembly. nano-scale manupulations, nanotribology, and biological processes Langston, Michael U. Tennessee 82391 m760 50,000 1,000 Scalable Computational Methods for the Analysis of High-Throughput Biological Data Lany, Stephan NREL 82438 m777 S 50,000 500 Designing New Materials for Water Splitting from Solid Solutions of Semiconductor Compounds Leboeuf, Jean-Noel UCLA 82257 mp28 200,000 20,000 Fusion Plasma Modeling Using 3-D Particle-In-Cell Simulations at UCLA Leboeuf, Jean-Noel U. Alaska 82283 m616 50,000 10,000 Gyrokinetic Studies of Non-Diffusive Transport Leboeuf, Jean-Noel UCLA 82285 mp201 50,000 50,000 Turbulent and MHD behavior of plasmas Lee, Frank George Wash 82478 m102 800,000 400,000 Hadron Physics from Univ Lattice Quantum Chromodynamics Lee, T. S. Harry Jefferson Lab 82239 m615 500,000 500 Dynamical Coupled-channel Analysis of Nucleon Resonances at Excited Baryon Analysis Center Lee, Wei-li PPPL 82403 mp19 6,000,000 40,000 Turbulent Transport and Multiscale Gyrokinetic Simulation Lee, Xuhui NCAR 82329 m640 4,000,000 100,000 Influences of the Boundary Layer Flow on Vegetation- Air Exchanges of Energy, Water and Carbon Dioxide Lele, Sanjiva Stanford Univ 82661 m837 20,000 2,000 Simulations of turbulent flows with strong shocks and density variations Lester, William Berkeley Lab 82253 mp208 8,000,000 2,000 Quantum Monte Carlo for Electronic Structure of Molecules Lester, William Berkeley Lab 82254 m518 2,000,000 2,000 Application of Quantum Monte Carlo Methods to Biological Systems Leung, Lai-Yung Ruby PNNL 82581 m546 100,000 40,000 North American Regional Climate Change Assessment Project (NARCCAP) Li, Rui Jefferson Lab 82461 m728 150,000 1,000 Computer simulation studies of electron cooling and beam-beam interaction for the Electron-Ion Collider based on CEBAF Li, Rui Jefferson Lab 82462 mp159 5,000 100 Effects of Coherent Synchrotron Radiation on Accelerator Performance and beam-beam simulations Lin, Shi Ying U. New Mexico 82584 m740 S 20,000 500 Quantum dynamical study for photodissociation of NH3 Lin, Yu Auburn Univ 82275 m206 70,000 100 Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Magnetic Reconnection Lin, Zhihong UC Irvine 82623 m808 5,000,000 100,000 SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulenc and Transport Liu, Da-Jiang Ames Lab 82630 m812 100,000 500 Analysis of energetics and kinetics of processes on metal surfaces (single- component crystals and multi- component alloys) Liu, Feng U. Utah 82370 m284 200,000 2,000 Tuning of Band Gap and Charge Carrier Mobility by Strain Engineering and Mechanical Modification of Organic Semi-Conducting Molecules Liu, Feng U. Utah 82674 m850 700,000 2,000 Quantum Modulation of Surface Mass Transport and Controlled Growth of Nanoscale Metal Thin Films Liu, Keh-Fei U. Kentucky 82227 mp7 15,000,00 1,500,000 Lattice QCD Monte Carlo Calculation of Hadron Structure and Spectroscopy Liu, Ping Brookhaven 82673 catalyst 50,000 5,000 Computational studies of Lab m848 supported nanoparticles in heterogeneous catalysis Loken, Stewart Berkeley Lab 82222 atlasdc 100,000 ATLAS Data Challenges Loken, Stewart Berkeley Lab 82223 atlas 30,000 Simulation of ATLAS Physics Long, Charles PNNL 82173 m726 680,000 100,000 Simulating the tropical cloud-climate interactions during the TWPICE experiment period with the weather research and forecasting model Louie, Steven Berkeley Lab 82191 mp149 1,000,000 20,000 Computation of Electronic Properties of Materials from First Principles Loveland, Walter Oregon State 82170 m136 40,000 200,000 Theoretical predictions for superheavy elements (SHE) using Relativistic Coupled-Cluster method Luk, Kam-Biu Berkeley Lab 82565 dayabay 30,000 Daya Bay Reactor Neutrino Experiment
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Ma, Chung-Pei UC Berkeley 82510 m289 120,000 2,000 Evolution of Massive Galaxies and Black Holes Ma, Kwan-Liu UC Davis 82663 m842 S 50,000 10,000 Ultrascale Visualization Makino, Kyoko Michigan 82359 m509 500,000 40,000 Modern Map Methods in State Particle Beam Physics Manson, Steven Georgia State 82228 m497 40,000 5,000 Inner and Outer Shell Photoabsorption by Positive and Negative Ions and Neutral Atoms Mao, Shaolin NCAR 82514 m646 S 50,000 5,000 Numerical simulation of sub-canopy drainage flow and their influence on above-canopy measurements Marques, Osni Berkeley Lab 82564 m340 44,000 100 Installation, Testing and Evaluation of ACTS Tools Mascarenhas, Angelo NREL 82465 mp306 100,000 4,000 Electronic structure of non-conventional semiconductor alloys and nanostructures Masunov, Artem U. Central 82580 m513 200,000 1,000 Design of nonlinear Florida optical materials with enhanced two- and three- photon absorbing properties Mavrikakis, Manos U. Wisc. 82421 mp351 1,920,000 100 First-Principles Catalyst Madison Design for Environmentally Benign Energy Production McCurdy, C. William Berkeley Lab 82447 mp74 225,000 1,500 Electron and Photon Collisions with atoms and molecules Medvedeva, Julia U. Missouri 82526 m742 200,000 100 Multicomponent oxides as Rolla novel transparent conductors Mei, Donghai PNNL 82301 m752 2,000,000 5,000 Computational Studies on the Reactivity, Reaction Mechanism and Kinetics of Catalytic Systems Mei, Donghai PNNL 82383 m761 50,000 1,000 First principles based modeling of substrate effect on reactivity of supported transition metal oxide catalysts Menon, Surabi Berkeley Lab 82302 m464 20,000 100 Cloud Physics Parameterizations for arctic stratus and convective cloud systems Mezzacappa, Anthony Oak Ridge 82387 m764 4,000,000 250,000 Multidimensional Simulations of Core Collapse Supernovae Mikkelsen, David PPPL 82410 m64 2,500,000 10,000 Experimental Tests of Gyrokinetic Simulations of Microturbulence Militzer, Burkhard UC Berkeley 82369 m744 50,000 100 First-principles simulation of hydrogen- helium mixtures at high pressure Miller, Doug UNC Asheville 82215 m550 20,000 20,000 Follow on to Forecasting Coupled Meteorology and Air Quality at Very High Resolutions Miller, Thomas Cal Tech 82644 m822 S 20,000 500 Sampling diffusive dynamics on long timescales, and simulating the coupled dynamics of electrons and nuclei Miller, William UC Berkeley 82152 mp14 800,000 500 Semiclassical approaches for condensed matter dynamics and for molecular reaction dynamics Miner, William SAI McLean 82652 m831 S 50,000 500 Free Electron Laser Simulation Mitchell, Julie U. Wisc. 82466 m780 250,000 500 Protein Engineering of Madison Cellulases and Other Bioenergy Bottlenecks Mitchell, Julie U. Wisc. 82605 m801 350,000 500 High Performance Protein Madison Docking Codes and Cellulosome Assembly Mori, Warren UCLA 82272 incite14 I 6,000,000 50,000 Petascale Particle-in-Cell Simulations of Plasma Based Accelerators Mori, Warren UCLA 82333 mp113 500,000 70,000 continuing studies of plasma based accelerators Mori, Warren UCLA 82381 m412 800,000 25,000 Investigations of fast ignition physics and extreme states of matter Morris, James Oak Ridge 82267 m435 80,000 500 Atomistic modeling of novel alloy behavior Muckerman, James Brookhaven 82477 m783 1,200,000 30,000 Computational Studies at Lab BNL of the Chemistry of Energy Production and Use Mukamel, Shaul UC Irvine 82185 m639 75,000 250 Probing Vibrational and Electronic Dynamics through Nonlinear Spectroscopy Mundy, Christopher PNNL 82328 m452 1,500,000 1,000 Novel density functional theory approaches to the statistical mechanics of hydrogen bonded systems
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Najm, Habib Sandia Lab CA 82425 m401 135,000 500 A Computational Facility for Reacting Flow Science Neff, Jason U. Colorado 82555 m745 S 20,000 1,000 The Role of Boreal and Boulder Arctic Soils in Climate Feedbacks; Model Development and Testing Negele, John MIT 82406 mp133 1,000,000 180,000 Exploration of Hadron Structure using Lattice QCD Nelson, Brian U. Washington 82427 m172 250,000 4,000 Helicity Injected Torus Current Drive and Compact Toroid Studies Nelson, Brian U. Washington 82429 m489 600,000 4,000 The Plasma Science and Innovation Center Nemeth, Karoly Argonne 82487 m634 400,000 300 Parallel Computation for Laser Plasma Interactions at Relativistic Intensities Newman, Gregory Berkeley Lab 82437 m372 1,000,000 100 Large Scale 3D Geophsycial Inversion & Imaging Ng, Cheuk-Yiu UC Davis 82198 m319 280,000 100 State-of-the-Art ab initio Calculations of Energetics and Spectroscopic Properties of Molecular Neutrals/Cations/Radicals for Comparison with Highly Accurate Experimental Measurements Ng, Esmond Berkeley Lab 82353 mp127 60,000 2,500 High Performance Sparse Matrix Algorithms Nolen, Jerry Argonne 82259 mp362 400,000 80,000 Radioactive Beam Facilities - Target, Shielding, Fragment Separators and Accelerator Studies Notaro, Michael U. Wisc. 82412 m731 125,000 40,000 Ecosystem response to Madison future climate change and the impact of vegetation feedback in the Southwest United States Nozik, Arthur NREL 82236 m72 200,000 20,000 Experimental and Theoretical Studies of Semiconductor Systems for Improved Solar Energy Technologies Nugent, Peter Berkeley Lab 82388 m779 50,000 800,000 Baryon Oscillation Spectroscopic Survey
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Odette, G. Robert UC Santa 82375 m720 150,000 50,000 Multiscale Ab-Initio Barbara Modeling and Simulation of Manoclusters in Advanced Ferretic Alloys Odyniec, Grazyna Berkeley Lab 82451 gc5 ppdg 4,000,000 STAR Detector Simulations rhstar and Data Analysis Oefelein, Joseph Sandia Lab CA 82154 m295 1,000,000 100,000 Large Eddy Simulation of Turbulence-Chemistry Interactions in Reacting Multiphase Flows Ogut, Serdar U. Illinois 82313 m567 300,000 10,000 Optical Properties of Chicago Noble Metal Clusters from First Principles Oliker, Leonid Berkeley Lab 82548 m650 200,000 200 Scientific Application Performance on Candidate PetaScale Platforms Orginos, Konstantinos (Ko William & 82334 m762 3,500,000 50,000 Electromagnetic properties Mary of resonances.
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Parvin, Bahram Berkeley Lab 82233 lowdose S 20,000 700,000 Mechanism of DNA Damage m823 and Repair Nuclear Imaging of Gene Expression Penner, Joyce U. Michigan 82188 mp231 250,000 87,000 Three-dimensional Global Atmospheric Aerosol and Chemistry Modeling Pennycook, Stephen Oak Ridge 82416 mp221 350,000 700 Numerical Simulations of Interfaces, Grain Boundaries, and Nanocrystals Perlmutter, Saul Berkeley Lab 82522 m219 225,000 140,000 SNAP Simulation and snap Analysis Perlmutter, Saul Berkeley Lab 82524 deepsrch 250,000 Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Pfreundt, Franz-Josef Fraunhofer 82452 m282 10,000 1,000 Integrated Performance ITWM Germany Analysis of Distributed Computer Systems Phillips, Carolyn U. Michigan 82682 m857 S 50,000 2,000 Impact of polydispersity on the phase diagram of the tethered nanoparticle system Pieper, Steven Argonne 82372 mp26 200,000 40,000 Exact Calculations of Light Nuclei, Nucleonic Matter and Electroweak Interactions Using Realistic Interactions Pinar, Ali Berkeley Lab 82435 m674 S 10,000 500 Algorithms for Discrete and Continuous Optimization Pindzola, Michael Auburn Univ 82162 m41 4,000,000 10,000 Computational Atomic Physics for Fusion Energy Plewa, Tomasz Florida State 82531 m461 400,000 300,000 Thermonuclear Supernovae: Stellar Explosions in Three Dimensions Poppitz, Erich U. Toronto 82685 m858 S 50,000 500 Lattice Chiral Gauge Canada Theory and Decoupling of Mirror Fermions Pordes, Ruth Fermilab 82363 m670 osg 600,000 200,000 Extending the Open Science Grid Potter, Gerald Livermore Lab 82327 mp193 800,000 2,000,000 Program for Climate Model Diagnosis and Intercomparison Pratt, Larry Fisk Univ 82549 incite9 I 900,000 500 Reactions of lithium carbenoids, lithium enolates, and mixed aggregates Primack, Joel UC Santa Cruz 82405 mp363 975,000 150,000 Galaxy Formation Simulations Prinz, Fritz Stanford Univ 82361 m622 250,000 50 Solid oxide materials for next generation renewable energy applications
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Qiang, Ji Berkeley Lab 82637 incite18 I 5,000,000 20,000 Beam Delivery System Optimization for X-Ray Free Electron Lasers Quinlan, Daniel Livermore Lab 82732 ROSE S 35,000 500 ROSE m871
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Rajopadhye, Sanjay Colorado 82679 m853 S 55,000 5,000 Introduction to Parallel State Processing (Education) Ram, Abhay MIT 82397 m224 2,000,000 50,000 Computational studies in plasma physics and fusion energy Randall, David Colorado 82467 m328 1,000,000 30,000 Global cloud modeling State Randall, David Colorado 82638 incite19 I 1,000,000 5,000,000 Simulation of Global State Cloudiness Rashkeev, Sergey Idaho 82393 m647 200,000 50 Numerical Simulations of National Lab Defects and Chemical Reactions at Surfaces and Interfaces Ratcliff, Jay US Army Corps 82498 m566 500,000 500 Coastal Storm Surge Engr MVN Analyses Rauchwerger, Lawrence Texas A&M 82530 m493 70,000 500 SmartApps: Middle-ware for Univ Adaptive Applications on Reconfigurable Platforms Ray, Asok U. Texas 82216 m701 1,000,000 1,000 A Fully Relativistic Arlington Density Functional Study of the Role of 5f Electrons in Chemical Bonding in Transuranium Elements Reboredo, Fernando Oak Ridge 82505 m337 400,000 500 First Principles Simulations of Nanostructured Materials under Pressure Rehr, John U. Washington 82351 mp313 50,000 500 High Performance Computation of Photon Spectroscopies and Electronic Excited States Reichler, Thomas U. Utah 82186 m730 20,000 15,000 Dynamics and Variability of the Coupled Stratosphere-Troposphere System Ren, Chuang U. Rochester 82390 m792 400,000 10,000 Study of laser-plasma interactions relevant to direct-drive ICF implosions Ren, Chuang U. Rochester 82634 incite15 I 2,000,000 400,000 Three-Dimensional Particle-in-Cell Simulations of Fast Ignition Riley, Pete SAI San Diego 82573 m700 S 20,000 5,000 High-Resolution Simulations of Coronal Mass Ejections and the Ambient Structure of the Solar Corona Rinke, Patrick UC Santa 82684 m856 S 40,000 2,000 First principles Barbara characterization of materials for photovoltaics and energy efficient lighting Roche, Kenneth Oak Ridge 82569 m397 20,000 100 Software Effectiveness Metrics Rogers, Barrett Dartmouth 82664 m841 50,000 10,000 Gyrokinetic Simulations of College Fusion Plasmas Rollett, Tony Carnegie 82266 mp262 500,000 1,000 Microstructural Evolution Mellon Based on Fundamental Interfacial Properties: a DOE sponsored Computational Materials Science Network Romanowicz, Barbara UC Berkeley 82207 m554 500,000 500 Calibration of 3D Upper Mantle Structure in Eurasia Using Regional and Teleseismic Full Waveform Seismic Data Rubin, Edward JGI 82362 m342 20,000 1,330,000 Optimizing Genomic Data Storage for Wide Accessibility Ryne, Robert Berkeley Lab 82225 m669 950,000 50,000 Frontiers in Accelerator Design: Advanced Modeling for Next-Generation BES Accelerators
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Saad, Yousef U. Minnesota 82241 m684 100,000 1,000 Pseudopotential Algorithm for Real Space Electronic Calculations Sallerson, Amber UNC Chapel 82669 m845 S 50,000 5,000 Simulating Multiphase Hill Transport Phenomena in Porous Medium Systems Saravanan, Ramalingam Texas A&M 82296 m788 200,000 20,000 High-resolution Coupled Univ Regional Climate Modeling in the Atlantic Savage, Martin U. Washington 82240 m747 4,000,000 130,000 Hadron-Hadron Interactions with Lattice QCD Saykally, Richard UC Berkeley 82309 m696 800,000 5,000 X-ray Absorption Spectra of Aqueous Solutions from First Principles Calculations Schaefer, Henry U. Georgia 82449 m170 800,000 500 Computations of Properties to Chemical Accuracy Schatz, George Northwestern 82643 m826 S 50,000 500 Modeling optical properties of metal particle arrays Scheibe, Timothy PNNL 82247 m749 500,000 10,000 Hybrid Numerical Methods for Multiscale Simulations of Subsurface Biogeochemical Processes Schiavilla, Rocco Jefferson Lab 82305 m69 70,000 100 Electroweak Structure of Light Nuclei Schuchardt, Karen PNNL 82563 m706 S 50,000 2,000 Community Access to Global Cloud Resolving Model Data and Analyses Schultz, David Oak Ridge 82163 mp48 500,000 3,000 Theoretical Atomic Physics for Fusion Energy Seidel, Edward Louisiana 82430 m152 2,000,000 100,000 Physics of Binary Black State Hole Mergers Seki, Ryoichi CSU 82496 m451 725,000 5,000 nuclear lattice Northridge calculation Selloni, Annabella Princeton 82660 m836 500,000 900 Theoretical Research Univ Program on Bio-inspired Inorganic Hydrogen Generating Catalyst and Electrodes Shang, Shunli Penn State 82497 m679 200,000 50,000 First-principles investigations of phonon and mechanical properties of Ni-based alloys Shapiro, Marjorie Berkeley Lab 82592 cdf 40,000 Physics Analysis of CDF fermi (Collider Detector at Fermilab) Data Shay, Michael U. Delaware 82480 m733 400,000 16,000 Kinetic Physics of Magnetic Reconnection Shigemitsu, Junko Ohio State 82295 mp268 200,000 50,000 Heavy-Light Physics with NRQCD Heavy and Improved Staggered Light Quarks Simon, Horst Berkeley Lab 82619 mphpcrd 20,000 1,000,000 CRD High Performance Computing Research Department Guest Accounts Simon, Horst Berkeley Lab 82657 mp309 S 50,000 5,000 Class Account for UCB CS267 / CS194 "Applications of Parallel Computing" Sinclair, Donald Argonne 82268 mp27 6,000,000 80,000 Lattice Gauge Theory Simulations Skinner, David Berkeley Lab 82628 m629 S 20,000 1,000 Integrated Performance Monitoring of HPC Workloads Smoot, George Berkeley Lab 82408 astrogfs 70,000 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 82212 m538 180,000 100 Molecular Modeling of Oxidation and Reduction Reactions in Zeolites and Metal-Organic Frameworks Snyder, Philip General 82399 mp94 1,400,000 50,000 Simulation of Magnetically Atomics Confined Fusion Plasmas Sosonkina, Masha Ames Lab 82468 m419 60,000 5,000 Interoperable software for modern high-performance applications Souza, Ivo UC Berkeley 82310 m755 50,000 2,000 Magnetic and optical properties of solid and liquid metals from first- principles Sovinec, Carl U. Wisc. 82436 mp200 2,000,000 2,000 Fluid and Hybrid Modeling Madison of Electromagnetic Activity in MFE Plasmas Spentzouris, Panagiotis Fermilab 82463 m778 5,000,000 31,000 Community Petascale Project for Accelerator Science and Simulation Spera, Frank UC Santa 82445 m178 200,000 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 82287 mp202 700,000 10,000 Plasma Confinement, Stability, Heating and Optimization in Stellarators and Tokamaks Sposito, Garrison Berkeley Lab 82183 mp47 1,035,000 1,000 Clay Mineral Surface Geochemistry Sprangle, Phillip Naval 82419 mp343 2,000,000 500 High Energy Laser-Driven Research Lab Acceleration Based on the Laser Wakefield Accelerator Stocks, G. Malcolm Oak Ridge 82431 m641 6,000,000 10,000 Computational Materials Theory Straus, David George Mason 82442 m773 1,250,000 100,000 Interactive Ensemble and Univ Climate Change Striolo, Alberto U. Oklahoma 82234 m530 200,000 100 Interfacial Phenomena: Aqueous Systems at Solid- Fluid Interfaces Striolo, Alberto U. Oklahoma 82262 m751 45,000 100 Intelligent Simulation- Assisted Catalyst Design Strohmaier, Erich Berkeley Lab 82489 m283 50,000 50 Performance Characterization and Benchmarking of HPC Systems
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Tainer, John Berkeley Lab 82717 m870 S 50,000 500 Solution structure modeling for small angle X-ray scattering Tang, Xianzhu Los Alamos 82574 mp204 900,000 5,000 nonlinear studies of Lab magnetically confined plasmas Tang, Xianzhu Los Alamos 82575 m139 250,000 500 Nonlinearly implicit MHD Lab and two-fluids simulation of fusion plasmas Thakur, Bhupender U. Delaware 82288 m673 S 20,000 500 Density Matrix Renormalization Group method for Large scale nuclear structure calculations. Thirumalai, Dave U. Maryland 82558 m704 60,000 500 Understanding function of biological nanomachines Tillett, Jason U. Rochester 82614 m799 S 50,000 1,000 Large Scale Bio-acoustic Propagation Simulator Tokmakian, Robin Naval PS 82459 m528 120,000 1,000 Decadal to century coupled ocean/ice simulations at high resolution (0.20) Toon, Owen U. Colorado 82323 mp192 360,000 7,000 Large-eddy simulations of Boulder aerosol-cloud interactions Toussaint, Doug U. Arizona 82274 mp13 30,000,00 50,000 Quantum Chromodynamics with three flavors of dynamical quarks Tysinger, Thomas Fluent Inc. 82271 incite10 I 1,000,000 100,000 CAE Simulation of full vehicle Windnoise and other CFD phenomena Tyson, Trevor New Jersey IT 82610 m805 100,000 1,000 Constrained Structural Optimization of Complex Metal Oxides
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Vahala, George William & 82208 mp32 2,500,000 200,000 Lattice Boltzmann Mary Simulations for Plasmas Vanderbilt, David Rutgers Univ 82482 m784 120,000 5,000 Strained Films of Ferroelectric Alloys Vary, James Iowa State 82418 m94 4,000,000 20,000 Structure and Reactions of Hadrons and Nuclei; Non- perturbative Solutions of Strongly Interacting Particles and Fields Vladimirova, Natalia U. Chicago 82698 m867 S 50,000 5,000 Rayleigh-Taylor (RT) unstable flames: adapting Nek5000 code for fundamental studies of reactive turbulence in RT-unstable flames.
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Wang, Cai-Zhuang Ames Lab 82407 m769 300,000 400 Ab initio molecular dynamics simulation of metallic liquid and glass Wang, Haobin New Mexico 82321 m93 1,500,000 1,000 Quantum Dynamical Study of State Charge and Energy Tranfer Processes in the Condensed Phase Wang, Jun U. Central 82648 HP-IO S 50,000 5,000 A Lightweight, High- Florida m827 performance I/O Management Package for Data-intensive Computing Wang, Lin-Wang Berkeley Lab 82494 mp304 2,500,000 60,000 Large scale nanostructure electronic structure calculations Ware, Andrew U. Montana 82440 mp205 1,000,000 200 Theory of Turbulent Heat and Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators Washington, Warren NCAR 82226 mp9 30,000,00 4,000,000 Climate Change Simulations with CCSM3: Moderate and High Resolution Studies Washington, Warren NCAR 82639 incite20 I 8,502,000 250,000 Climate-Science Grand Challenge Simulations with CCSM3 Weber, William PNNL 82392 mp148 200,000 1,000 Defects, Defect Processes, and Ion-Solid Interactions in Ceramics Wei, Suhuai NREL 82237 mp252 750,000 40,000 Doping bottleneck, van der Waals interaction, and novel ordered alloy Weinert, Michael U. Wisc. 82566 mp330 250,000 1,000 Electronic Structure of Milwaukee Alloys, Surfaces, and Nanostructures Weitzner, Harold New York Univ 82160 mp338 120,000 500 Advanced Toroidal Theory and Computation Weitzner, Harold New York Univ 82161 m191 20,000 100 Advanced Stellarator Theory Wellein, Gerhard RRZ Erlangen 82450 m635 S 30,000 1,000 Application Performance Germany Characteristics of Leading Edge Supercomputers Wen, Zhaofang Sandia Lab NM 82169 m407 100,000 500 BEC library for Unified Parallel C Werthimer, Dan UC Berkeley 82355 seti S 50,000 900,000 Berkeley High Resolution Neutral Hydrogen Sky Survey White, Martin UC Berkeley 82174 m68 100,000 40,000 Constraining dark energy with clusters of galaxies Whiteson, Daniel UC Irvine 82666 atlasuci 5,000 ATLAS Simulation at UC Irvine Wilkins, John Ohio State 82325 mp160 12,500,00 1,000 Modeling Dynamically and Spatially Complex Materials Woodruff, Simon Woodruff 82299 m633 260,000 40,000 Simulations of the Scientific Formation, Compression and LLC Merging of Compact Tori Woosley, Stan UC Santa Cruz 82156 m106 3,000,000 50,000 Computational Astrophysics Consortium Wu, Jianzhong UC Riverside 82552 m618 350,000 5,000 Atomic density functional theory for crystal nucleation and growth Wu, Meng-Shiou Ames Lab 82504 m664 50,000 5,000 Computational Quality of Service for Chemistry Software Wu, Ruqian UC Irvine 82493 m532 200,000 100 First Principles Exploration for the Origin of Ferromagnetism in Diluted Magnetic Semiconductors Wu, Ruqian UC Irvine 82495 mp244 300,000 100 First Principles Investigations and Simulations for Catalytic Properties of Metal/Oxide Surfaces Wuebbles, Donald U. Illinois 82374 mp79 550,000 150,000 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
Xiang, Nong U. Colorado 82693 m863 S 40,000 5,000 Simulations of electron Boulder Bernstein waves in a three-dimensional geometry
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Yan, Yanfa NREL 82213 m721 200,000 100 Theory of metal oxides for potential applications of PEC water spliting Yang, Chao Berkeley Lab 82423 m653 1,500,000 200 Three-dimension Image Reconstruction of Macromolecular Assemblies from Cryo-EM Data Yelick, Katherine Berkeley Lab 82255 mpnersc 20,000 1,000 NERSC Division Guest Accounts Yelick, Katherine Berkeley Lab 82579 mp215 100,000 10,000 UPC and Titanium Yeung, Pui-kuen Georgia Tech 82368 m442 300,000 100,000 Chemical Reactions and Intermittency in high Reynolds number turbulence Yin, Jianjun Florida State 82318 m758 920,000 100,000 Climate Simulation with CCSM3/HYCOM Yunn, Byung Jefferson Lab 82242 m216 150,000 200 Accelerator Physics Studies of Applications of Superconducting Linacs
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Zapol, Peter Argonne 82535 m548 20,000 100 Computational studies of Electrocatalysis for Low Temperature Fuel Cell Cathodes Zapol, Peter Argonne 82536 m441 40,000 500 Soft/hard interfaces in nanomaterials Zhang, Bin Arkansas 82211 m688 S 50,000 2,000 Dynamics of Relativistic State Heavy Ion Collisions Zhang, Guoping Indiana St U 82159 m713 2,000,000 2,000 Ultrafast magnetization in ferromagnets Zhang, Zhenyu Oak Ridge 82432 m108 500,000 100 First principles studies of hydrogen storage on light element based nanostructures and quantum metal alloys. Zhang, Zhenyu Oak Ridge 82474 m781 50,000 100 First principles studies of optimal dopant control via n-p copdoing Zhu, Ping U. Wisc. 82343 m572 250,000 10,000 MHD Modeling of Nonlinear Madison Ballooning Instabilities in Fusion and Space Plasmas Zunger, Alex NREL 82356 mp70 4,000,000 1,000 Computational Semiconductor Physics Zunger, Alex NREL 82357 m346 4,000,000 2,000 Predicting the electronic Properties of 3D, Milion- Atom Semiconductor Nanostructure Architectures Zunger, Alex NREL 82512 m790 800,000 1,000 Computational modeling and design of new materials for photovoltaics Zyla, Piotr Berkeley Lab 82481 pdg 9,000 Particle Data Group Zyla, Piotr Berkeley Lab 82509 e871 250,000 HyperCP (FNAL E871)
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