FY2003 Initial Allocations Awards by DOE Office
The following table lists the allocation awards for NERSC for FY2003. The list is grouped by DOE office, program, and then 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 |
|---|---|
| `X' | SciDAC award |
| `G' | Special award |
DOE OFFICE : Advanced Scientific Computing Research DOE PROGRAM: MICS / Computer Science Program Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Baden, Scott UC San Diego 80175 m276 S 30,000 5,000 Latency tolerant algorithm formulation Bailey, David Berkeley Lab 79944 mp207 30,000 10 The Experimental Mathematician's Toolkit Bailey, David Berkeley Lab 79946 m88 X 55,000 200 The Performance Engineering Research Center Canning, Andrew Berkeley Lab 80107 m126 80,000 5,000 Computational Methods for Electronic Structure Codes in Materials Science Johnston, William Berkeley Lab 80126 m105 X 50,000 1,000 DOE Science Grid Kendall, Ricky Ames Lab 80073 mp359 S 20,000 100 Computer Science 425: High Performance Computing for Scientific and Engineering Applications Kendall, Ricky Ames Lab 80099 mp263 50,000 300 Parallel and Distributed Computing Tools and Infrastructure Keyes, David Old Dominion 79991 m125 X 40,000 10 Terascale Optimal PDE Simulations Numrich, Robert U. Minnesota 80103 m155 30,000 10 Co-Array Fortran Library Development Pfreundt, Franz-Josef Fraunhofer In 80184 m282 S 30,000 2,000 Integrated Performance Analysis of Distributed Computer Systems Simon, Horst Berkeley Lab 80016 mp6 50,000 400 Fundamental Numerical and Discrete Algorithms in Computational Science Simon, Horst Berkeley Lab 80075 mp309 S 30,000 100 Class Account for UCB CS267 "Applications of Parallel Computing" Smith, Barry Argonne Lab 80011 mp11 X 15,000 10 PETSc Development for SciDAC-TOPS and ACTS Strohmaier, Erich Berkeley Lab 80185 m283 S 30,000 10 Performance Characterization and Benchmarking of HPC Systems Turner, Dave Ames Lab 80070 m241 S 30,000 2,000 Message-passing research with the MP_Lite library Wasserman, Harvey Los Alamos La 80116 m78 S 10,000 10 Performance Modeling of Scientific Applications Yelick, Katherine Berkeley Lab 80077 mp215 20,000 10 UPC and Titanium
DOE OFFICE : Advanced Scientific Computing Research DOE PROGRAM: MICS / Applied Mathematical Sciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Bell, John Berkeley Lab 79847 mp111 X 1,610,000 200,000 Applied Partial Differential Equations Demmel, James UC Berkeley 80005 mp156 X 50,000 500 Linear Algebra Algorithms on High Performance HPC Users Fischer, Paul Argonne Lab 80129 mp266 100,000 100 Spectral Element Methods for LES of Turbulent Flows Ghoniem, Ahmed MIT 79897 mp218 100,000 500 Mixing Optimization in a Transverse Jet Glimm, James SUNY Stony Br 80057 mp123 200,000 5,000 A Numerical Study of Acceleration-Driven Fluid Interface Instabilities Ng, Esmond Berkeley Lab 80120 mp127 X 50,000 200 High Performance Sparse Matrix Algorithms Norman, Catherine Northwestern 80158 m265 S 30,000 5,000 Complex Interfacial Flows Stark, Philip UC Berkeley 80117 m187 S 20,000 10 Fast computation of least favorable prior probability distributions Yeung, Pui-kuen Georgia IT 80156 m263 S 30,000 5,000 Terascale Computing for Numerical Simulations of Turbulent Fluid Flow
DOE OFFICE : Biological and Environmental Research DOE PROGRAM: Environmental Sciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Atherton, Cynthia Livermore Lab 79766 mp163 200,000 22,000 Roles of aerosols, stratospheric transport, and natural and anthropogenic emissions on tropospheric ozone Babikov, Dmitri Los Alamos La 79922 m190 S 30,000 5,000 Anomalous Isotope Effect in Ozone Formation Baer, Ferdinand U. Maryland 80006 mp188 X 75,000 9,000 Multiresolution adaptive modeling of spherical turbulence with the Spectral Element Atmospheric Model Caldeira, Kenneth Livermore Lab 80124 mp227 250,000 13,000 Simulating ocean carbon sequestration Chiang, John UC Berkeley 80254 m297 S 20,000 2,000 Mechanisms of tropical ENSO teleconnections Chuang, Catherine Livermore Lab 79965 mp324 50,000 100 Cloud/Aerosol Interactions: Application and Improvement of General Circulation Models Ding, Chris Berkeley Lab 80074 mp153 30,000 3,000 Development of a Performance Portable Climate System Model Duffy, Philip Livermore Lab 80029 m235 150,000 8,000 Simulations of Global Cimate Using a High Resolution Atmospheric Model Fung, Inez UC Berkeley 79929 m189 S 30,000 10,000 Carbon-Climate Interactions Gwo, Jin-Ping (Jack) UMD Baltimore 80118 mp233 500 Multilevel Large Scale Biohydrogeochemistry Study at a DOE Bioremediation Research Site Hnilo, Justin Livermore Lab 79948 mp193 150,000 250,000 Program for Climate Model Diagnosis and Intercomparison Johnson, Donald U. Wisconsin, 79971 m167 X 50,000 2,500 Modeling and Analysis of Global and Regional Hydrologic Processes and Appropriate Conservation of Moist Entropy Kotamarthi, Veerabhadra Argonne Lab 80045 m184 50,000 10,000 High-Spatial Resolution Models of Atmospheric Chemistry - Effects of Turbulence and Fast Chemistry on Flux Calculations at the Earth Surface Krueger, Steven U. Utah 79905 m205 50,000 4,000 Cloud Resolving Simulations of Cloud Systems Lacis, Andrew NASA GISS 80053 m238 S 20,000 50 Theoretical Calculation of Water Vapor Continuum Absorption Liu, Zhengyu U. Wisconsin, 80189 m285 100,000 10,000 Towards the prediction of decadal to mult-century processes in a high- throughput climate system model Maltrud, Mathew Los Alamos La 80062 m62 50,000 50,000 High Resolution Global Coupled Ocean/Sea Ice Modeling Marshall, John MIT 79835 m133 50,000 100 High-resolution Ocean Carbon Sequestration Studies Miller, Norman Berkeley Lab 80172 m273 S 10,000 1,000 Water Cycle Predictability Penner, Joyce U. Michigan 80024 mp231 100,000 30,000 Three-dimensional Global Atmospheric Chemistry Modeling Randall, David NASA Langley 80081 m242 S 15,000 2,000 Use of Cloud-Resolving Models and ARM Data for Cloud Parameterization Development Riley, William Berkeley Lab 80069 m140 S 30,000 50 Applying a Coupled Climate-Land Surface Regional Model to Deduce Trends in Soil Moisture from Air Temperature Data Schneider, Niklas Scripps Inst 80091 m245 S 10,000 5,000 Predictability and Diagnosis of Low-Frequency Climate Processes in the Pacific Schwartz, Stephen Brookhaven La 79920 mp235 30,000 500 Chemistry and Microphysics of the Troposphere: Chemical and Microphysical Aerosol Model and Anthropogenic Aerosol Perturbations Skyllingstad, Eric Oregon State 79982 mp317 50,000 1,000 Large Eddy Simulation of Stable Boundary Layer Turbulent Processes in Complex Terrain Street, Robert Stanford Univ 79791 m138 100,000 30 Simulation of Air Motions in Salt Lake Valley under Stable Conditions: a VTMX Project Taylor, John Argonne Lab 80122 mp320 30,000 5,000 Regional Climate Simulations for the US Thompson, Starley Livermore Lab 80068 mp3 150,000 20,000 Coupled Climate/Carbon Cycle Modeling on Massively Parallel HPC Users Toon, Owen U. Colorado 79758 mp192 50,000 5,000 Large-eddy simulations of aerosol-cloud interactions Washington, Warren NCAR 79842 mp9 2,000,000 400,000 Climate Change Simulation with CCSM2: Moderate and High Resolution Studies Wehner, Michael Livermore Lab 79969 mp224 150,000 20,000 PCMDI- Ensembles of NCAR PCM and CCSM2 integrations Wuebbles, Donald U. Illinois, 79839 mp79 50,000 8,000 Parallel modeling of chemistry and physics affecting the global atmosphere
DOE OFFICE : Biological and Environmental Research DOE PROGRAM: Life Sciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Broderick, Gordon U. Alberta 80195 m291 S 30,000 5,000 A massively parallel arithmatic approach to whole cell modeling in 4-d Crivelli, Silvia Berkeley Lab 80170 m272 S 30,000 10 Infrastructure for Improving Protein Structure Prediction in Computational Biology Doniach, Sebastian Stanford Univ 79898 mp219 75,000 10 Kinetic pathways for protein misfolding and amyloid formation Glaeser, Robert Berkeley Lab 79900 mp301 S 30,000 5,000 Single-Particle Electron Crystallography Gutowski, Maciej PNNL 80146 m260 S 30,000 10 Molecular Energetics of Clustered Damage Sites in DNA Head-Gordon, Teresa Berkeley Lab 79935 mp53 350,000 100 Global Optimization Approaches to Protein Tertiary Structure Prediction for CASP6 Hingerty, Brian Oak Ridge Lab 79953 mp106 50,000 500 Crystallographic, NMR and Molecular Modeling Calculations of Carcinogen Modified DNA and protein/DNA complexes Holbrook, Steve Berkeley Lab 80169 mp105 50,000 20 Discovering Functional RNA Genes in Genomic DNA Sequences Karplus, Martin Harvard Univ 79788 gc8 250,000 6,000 Theoretical study on catalysis by protein enzymes and molecular motors Kim, Sung-Hou Berkeley Lab 79843 mp211 75,000 500 Structural genomics Kuriyan, John UC Berkeley 79932 m37 250,000 1,500 Computational investigations of proteins involved in cell signaling and DNA replication Rokhsar, Daniel Berkeley Lab 79914 mp31 350,000 60,000 High Throughput Computational Analysis of Genomic Sequence Data
DOE OFFICE : Biological and Environmental Research DOE PROGRAM: Medical Sciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Broyde, Suse New York Univ 79943 mp310 50,000 1,200 Molecular Understanding of Mutagenicity Using Potential Energy Methods Garfinkel, Alan UCLA 80193 m287 S 30,000 2,000 Mathematical Modeling of Cardiac Arrhythmias Huesman, Ronald Berkeley Lab 80023 m229 S 10,000 50 Experimental Medicine: Clinical, Diagnostic, and Isotopic Imaging Studies Kogan, Boris UCLA 79753 mp66 50,000 20 The effect of Markovian representation of cell gating processes on cardiac arrhythmias in 2- and 3-dimensional cardiac tissue Zaider, Marco Sloan-Ket Cen 79762 crr 200 The effects of low doses of ionizing radiation on biological systems Charged particle transport in condensed biomaterials
DOE OFFICE : Basic Energy Sciences DOE PROGRAM: Chemical Sciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Ahmed, Musa Berkeley Lab 80110 m252 S 20,000 160 Chemical Dynamics and Energetics of Free Radicals, Clusters, and Excited Ions Balbuena, Perla U. SCarolina 80105 m249 50,000 2,000 Computational chemistry search of efficient catalysts Batista, Victor Yale Univ 79886 mp311 50,000 1,500 Simulations of quantum reaction dynamics Bell, Alexis UC Berkeley 79825 mp182 100 Density Functional Theory Study of Iron-Oxo Species in Zeolites: Nitrous Oxide Decomposition and Benzene Oxidation in Fe- ZSM-5 Benedek, Roy Argonne Lab 79820 mp169 50,000 600 First Principles Calculations for Lithium Battery Electrodes and Electrode Coatings Brown, Nancy Berkeley Lab 80100 mp122 5,000 250 Combustion Chemistry Chakraborty, Arup UC Berkeley 79826 m104 S 10,000 100 Synthesis of Dimethyl Carbonate in Transition Metal-Exchanged Zeolite Materials Chakraborty, Arup UC Berkeley 79827 m107 S 10,000 100 Coupling Ab Initio Electronic Structure Calculations with the Reaction Path Hamiltonian Analysis to Study Dynamic Processes in Zeolites Chen, Jacqueline Sandia CA 79838 mp241 500,000 10,000 Direct Numerical Simulation of Turbulent Combustion - Multi-Stage Autoignition and Lean Limit Premixed Combustion Continetti, Robert UC San Diego 79960 m109 S 10,000 10 Ab initio studies of anions, radicals and transition state dynamics Cummings, Peter Vanderbilt Un 80046 mp138 200,000 1,500 Molecular-Based Simulation of Complex and Nanostructured Fluids Curtiss, Larry Argonne Lab 79951 m211 60,000 50 Electronic Structure Computational Studies of Energy Storage Systems and Bionanocomposites Eberly, J. U. Rochester 79789 m197 S 10,000 100 Nonlinear interaction of two-electron atoms with intense laser pulses Fleming, Graham Berkeley Lab 79836 mp364 50,000 2,000 Simulations of energy transfer dynamics in photosynthetic light- harvesting complexes and reaction centers using ab initio, quantum chemistry and molecular dynamic methods. Frei, Heinz Berkeley Lab 80123 m158 S 30,000 10 Quantum Chemical Calculation on CO2 Interaction with Excited Framework Ti Centers of Silicalite Molecular Sieve Froese-Fischer, Charlotte Vanderbilt Un 80035 mp52 50,000 100 Theoretical studies of atomic transitions Garrett, Bruce PNNL 79752 mp329 500 Modeling Molecular Interactions in Liquids, in Crystalline and Amorpbous Solids, on Surfaces and at Interfaces Greene, Chris U. Colorado 79811 mp318 50,000 100 Molecular Dissociation by Electron Impact, and Ultrafast Laser Pulse Dynamics Gubbins, Keith NC State 80163 m269 30,000 10 Adsorption, Freezing, and Melting of Water and Other Fluids in Cylindrical Pores Gutowski, Maciej PNNL 80113 mp358 60,000 10 Computational Studies of Heterogeneous Catalysis Harrison, Robert PNNL 80125 m256 X 185,000 40,000 Chemical Discovery through Advanced Computing Head-Gordon, Martin Berkeley Lab 80065 mp54 500,000 3,000 Electronic structure and simulation calculations of reactive chemical systems: Hu, Suxing U. Nebraska 79945 m188 S 30,000 100 Monte-Carlo and ab-initio studies of laser-atom interactions. Jellinek, Julius Argonne Lab 79958 m196 50,000 750 Structure, Energetics and Dynamics of Metal, Including Alloy, Clusters and Nanoparticles; Interactions (Reactive and Inelastic) of Molecules with Clusters and Nanoparticles Klippenstein, Stephen Sandia CA 80194 m288 S 20,000 1,000 Potential Energy Surfaces for Key Combustion Reactions Leininger, Matt Sandia CA 80179 m279 S 30,000 500 Massively parallel explicitly correlated and reduced-scaling electronic structure methods Lester, William Berkeley Lab 80017 mp208 500,000 200 Quantum Monte Carlo for Electronic Structure of Molecules Lin, M. C. Emory Univ 79837 m192 20,000 50 Kinetics of elementary processes relevant to incipient soot formation Mavrikakis, Manos U. Wisconsin, 79823 mp351 100,000 100 First-Principles Catalyst Design for Environmentally Benign Energy Production McCurdy, C. William Berkeley Lab 79930 mp74 50,000 1,000 Electron-Atom and Electron-Molecule Collision Processes Miller, William UC Berkeley 79772 mp14 400,000 200 Semiclassical Molecular Reaction Dynamics: Methodological Development and Application to Complex Systems Najm, Habib Sandia CA 79901 m208 S 30,000 300 Computational Studies of Reacting Flow Najm, Habib Sandia CA 79908 m209 S 30,000 800 Uncertainty Quantification in Reacting Flow Nozik, Arthur NREL 79928 m72 50,000 200 Experimental and Theoretical Studies of Semiconductor Systems for Improved Solar Energy Technologies Oefelein, Joseph Sandia CA 80231 m295 S 30,000 1,000 Large Eddy Simulation of Turbulence-Chemistry Interactions in BES Target Flames Overton, Michael New York Univ 80161 m267 S 25,000 3,000 Application of Semi- Definite Programming in N Fermion System Russo, Richard Berkeley Lab 79883 m207 S 20,000 50 Fundamental Understanding of Laser Ablation Processes Schaefer, Henry U. Georgia 79750 m170 X 50,000 1,000 Explicitly Correlated Methods for Computations of Properties to Chemical Accuracy Trouve, Arnaud U. Maryland 79975 m217 X 1,200,000 500 High-Fidelity Direct Numerical Simulations of Turbulent Combustion - Compression Ignition under HCCI Conditions and NOx Formation in Turbulent Jet Flames Wagner, Al Argonne Lab 79947 mp166 50,000 600 Quantum Dynamics of OH + CO --> H + CO2 Wang, Haobin New Mex State 79781 m93 50,000 50 Quantum and Semiclassical Study of Charge and Energy Tranfers in the Condensed Phase Whaley, K. Birgitta UC Berkeley 80167 m271 S 30,000 1,000 Electronic Structure Calculations of Magneto- Optical Properties and Coherent Spin Manipulations of Semiconductor Nanostructures White, Ralph U. SCarolina 80084 mp168 1,000 Mathematical modeling of electrochemical systems Windus, Theresa PNNL 79988 mp15 50,000 750 EMSL Molecular Science Software Development and Benchmarking Wu, Jianzhong UC Riverside 79759 mp357 50,000 1,000 Understanding Colloidal Forces for Self-Assembly of Colloid-Based Materials Wu, Ruqian UC Irvine 79797 mp244 50,000 50 First Principles Investigations and Simulations for Catalytic Properties of Bimetallic and Metal/Oxide Surfaces Zhang, Shengbai NREL 79925 m50 S 30,000 1,000 Understanding nanoscale chemistry research
DOE OFFICE : Basic Energy Sciences DOE PROGRAM: Geosciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Alumbaugh, David U. Wisconsin, 79790 mp246 80,000 10 3D Electromagnetic Modeling and Inversion for Subsurface Characterization Capdeville, Yann UC Berkeley 79786 mp342 30,000 10 Study of the Earth seismic attenuation and the D" layer with a Coupled method of Spectral Elements and Modal Solution Felmy, Andrew PNNL 80093 mp119 50,000 50 Computational Studies in Molecular Geochemistry Garven, Grant Johns Hopkins 80252 m298 S 20,000 100 Thrust Fault Hydromechanics Hoversten, G. Michael Berkeley Lab 80010 m234 50,000 500 Realistic three- dimensional velocity anisotropy modeling Koplik, Joel City College 79978 mp247 100,000 4,000 Fluid and particulate transport in self-affine fractures Korneev, Valeri Berkeley Lab 80104 m255 50,000 500 Computation of Seismic Waveforms in Complex Structures Paprzycki, Marcin Oklahoma Stat 80135 m258 S 20,000 50 MPI to Process Seismic Data Spera, Frank UC Santa Barb 79891 m178 50,000 200 Applications Of Mesoscale Molecular Dynamics to Geomaterials: The Glass Transition in Silicates And Relationship Between Structure And Anomalous Properties Of High- Pressure Amorphous (Glassy And Liquid) Silicates Sposito, Garrison Berkeley Lab 79754 mp47 50,000 100 Clay Mineral Surface Geochemistry Wu, Yu-Shu Berkeley Lab 79779 mp355 50,000 200 Modeling investigations of flow and transport processes at Yucca Mountain using high- performance TOUGH2 code
DOE OFFICE : Basic Energy Sciences DOE PROGRAM: Materials Sciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Al-Jassim, Mowafak NREL 79785 mp308 60,000 100 Theoretical simulations of effects of extended and point defects on the properties of advanced materials Albers, Robert Los Alamos La 79986 m233 70,000 1,000 Displacive Phase Transformations Alivisatos, Paul Berkeley Lab 80168 m270 S 30,000 1,000 Pseudopotential calculations of the binding of organic surfactants to bulk semiconductor surfaces Aronson, Igor Argonne Lab 80033 m135 50,000 16,000 Numerical Investigation of Avalanches in Three- Dimensional Granular Flows Averback, Robert U. Illinois, 79955 mp99 50,000 10,000 Synthesis of nanostructured thin films by far from equilibrium methods Bansil, Arun Northeastern 79997 m225 S 30,000 100 Fermiology of High Temperature Superconductors and Other Complex Materials Benedek, Roy Argonne Lab 79828 mp87 50,000 1,000 First Principles Modeling of Ceramic-Metal Interfaces Bulatov, Vasily Livermore Lab 80090 m120 70,000 8,000 Crystal Plasticity by Massively-Parallel Dislocation Dynamics Car, Roberto Princeton Uni 79895 m222 S 30,000 200 Improved Modeling and Understanding of Electron Transport through Molecular Wires Chelikowsky, James U. Minnesota 79964 m175 50,000 10,000 Optical Excitations in Localized Systems Cheng, Hai-Ping U. Florida 79993 mp261 120,000 600 Multiscale Simulations of Particle- and Molecule- Surface Interactions: Physical and Chemical Processes Ching, Wai-Yim U. Missouri 79840 mp250 45,000 20 Theoretical Studies of the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials Chou, Mei-Yin Georgia IT 80096 mp258 50,000 10 First-Principles Investigation of Complex Materials Properties Chou, Mei-Yin Georgia IT 80111 m91 S 30,000 50 Quantum Monte Carlo Study of Electron Correlation in Quantum Dots Chrzan, Daryl Berkeley Lab 79985 mp110 50,000 10 Calculation of dislocation core structures and mobilities in hard materials Cohen, Marvin Berkeley Lab 79961 mp173 120,000 6,000 Ab Initio Prediction of Structural and Electronic Properties of Materials Cooke, John Oak Ridge Lab 79921 mp221 260,000 50 Numerical Simulations of Interfaces, Grain Boundaries, and Nanocrystals Cooper, Bernard WVirginia Uni 79924 mp328 3,000 Electron Localization Effects on Electronic and Magnetic Interactions and Related Technological Applications Creswick, Richard U. SCarolina 80055 m182 S 30,000 1,000 Microcanonical transfer matrix calculation of path integrals for quantum many-body systems. Daw, Murray Clemson Univ 80020 m236 50,000 10 LDA Calculations of Dislocation Mobility in Fe and Mo Fawley, William SLAC 79822 mp197 5,000 100 Numerical Simulation of Short-wavelength Free- Electron Lasers Utilizing Self-Amplified Simulated Emission (SASE) and/or Harmonic Upshifting Fong, Ching-Yao UC Davis 79927 m151 S 30,000 10 Electronic properties of surfaces and quantum structures Freeman, Arthur Northwestern 79980 mp134 190,000 200 Energetics, Bonding Mechanism and Electronic Structure of Metal/Ceramic Interfaces Fukazawa, Tomoko Japan Sci & T 79802 m144 50,000 10 Molecular dynamics simulations of surfaces of ice and polymer Haas, Stephan U. SCaliforni 79870 m157 50,000 10,000 Magnetic Fields and Disorder in Quantum Spin Systems Harmon, Bruce Ames Lab 79937 mp101 60,000 200 Photonic Band Gap Materials Harmon, Bruce Ames Lab 79989 mp350 50,000 10 AlMgB14 hard materials and other complex materials. Harmon, Bruce Ames Lab 80014 mp344 300,000 1,000 Electronic and structural properties of surfaces and interfaces Klepeis, John Livermore Lab 79926 mp176 100,000 500 Growth and Formation of Advanced Heterointerfaces Lancon, Frederic Berkeley Lab 80191 m290 S 30,000 2,000 Atomic structure of a sigma 99 grain boundary in Al Landman, Uzi Georgia IT 79915 mp97 310,000 35,000 Quantum and classical simulations of clusters, self-assembly. nano-scale manupulations, nanotribology, and biological processes. Liu, Feng U. Utah 80180 m284 S 30,000 10 First-principles Calculation of Surface Stress Evolution of Ge Quantum Dots Louie, Steven Berkeley Lab 79896 mp149 160,000 7,000 Computation of Electronic Properties of Materials from First Principles Mascarenhas, Angelo NREL 80026 mp306 200 Band structure and optical properties of ordered and disordered semiconductors McMahon, William NREL 79816 m147 30,000 2,000 As/Ge Surface Structures Moore, Joel UC Berkeley 80048 m156 50,000 200 Many-electron dynamics in quantum phase transitions and nanoscale devices Novotny, Mark Mississipi St 80032 mp100 50,000 250 Metastability in Materials Science and Scalability of Parallel Discrete Event Simulations Pickett, Warren UC Davis 80092 m183 S 20,000 10 First Principles Studies of Complex Compounds and Nanoparticles Prosperetti, Andrea Johns Hopkins 80157 m264 S 30,000 3,000 Direct numerical simulations for disperse two-phase flow Rehr, John U. Washington 80003 mp313 10,000 10 High Performance Computation of X-ray Spectra and Excited States Rollett, Tony Carnegie Mell 79803 mp262 80,000 500 Microstructural Evolution Based on Fundamental Interfacial Properties: a DOE sponsored Computational Materials Science Network Singh, Rajiv UC Davis 80162 m268 S 30,000 50 Models and Simulations of low dimensional magnetism Stocks, G. Malcolm Oak Ridge Lab 80036 gc4 1,200,000 10,000 Magnetic Materials: Bridging Basic and Applied Science Stocks, G. Malcolm Oak Ridge Lab 80173 m274 1,500,000 10,000 Ab Initio Calculation of Exchange Bias Van Hove, Michel Berkeley Lab 79878 m198 S 30,000 1,000 Alloy segregation in bimetallic nanoparticles Wang, Lin-Wang Berkeley Lab 79819 mp304 50,000 1,500 Nonselfconsistent large scale atomistic electronic structure calculations Weber, William PNNL 79907 mp148 50,000 1,000 Defects, Defect Processes, and Ion-Solid Interactions in Ceramics Weinert, Michael Brookhaven La 79813 mp330 95,000 200 Electronic Structure of Alloys,Surfaces, and Nanostructures Wilkins, John Ohio State 80085 mp160 110,000 10 Modeling Dynamically and Spatially Complex Materials Zhang, Shengbai NREL 79877 mp252 80,000 2,000 Semiconductor doping bottleneck and novel ordered alloy research Zhang, Zhenyu Oak Ridge Lab 80056 m108 90,000 500 Time dependent density functional studies of dynamic transport in nanostructures Zhong, Jianxin Oak Ridge Lab 80243 m296 S 30,000 200 First Principles Studies of Transition Metal Doping and Nanostructures in Transition Metal Oxides Zunger, Alex NREL 79912 mp70 220,000 3,000 Computational Semiconductor Physics
DOE OFFICE : Fusion Energy Sciences DOE PROGRAM: Fusion Energy Sciences Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Aydemir, Ahmet U. Texas, Aus 80034 mp77 50,000 5,000 Comprehensive modelling and transport studies at the Institite for Fusion Studies Batchelor, Don Oak Ridge Lab 79796 m77 X 1,115,000 500 SciDAC Project on Electromagnetic Wave- Plasma Interactions in Multi- dimensional Systems Bhattacharjee, Amitava U. Iowa 80047 m148 X 250,000 4,000 Magnetic Reconnection Code Brown, Michael Swarthmore 79880 m201 S 30,000 50 Magnetofluid Physics Studies on the SSX-FRC experiment: Reconnection and FRC Sustainment Car, Roberto Princeton Uni 79893 m115 75,000 300 First-principles Study of Point and Line Defects in Metallic Alloys Chen, Liu UC Irvine 79865 m92 150,000 400 Nonlinear Instability and Transport Computations Chen, Yang U. Colorado 79814 mp118 100,000 500 Gyrokinetic simulation of plasma turbulence, kinetic MHD simulation and kinetic simulation of current- driven potential structures Cohen, Bruce Livermore Lab 79777 gc3 X 3,355,000 55,000 SciDAC Plasma Microturbulence Project (formerly Numerical Tokamak Turbulence Project-NTTP) Cohen, Bruce Livermore Lab 79778 mp2 450,000 35,000 LLNL MFE Supercomputing Connor, Kenneth Rensselaer 80072 m254 S 10,000 400 Rensselaer Fusion and Plasma Research Program: Heavy Ion Beam Probe Diagnostic Development D'Ippolito, Daniel Lodestar Corp 79889 s1 100 Edge, SOL and Divertor Modeling Davidson, Ronald PPPL 79966 m74 225,000 2,000 Simulation of Heavy Ion Fusion and Particle Accelerators Diaz de la Rubia, Tomas Livermore Lab 80076 mp43 100,000 10,000 Microstructure evolution in irradiated materials Friedman, Alex Livermore Lab 79882 mp42 225,000 4,000 Simulation of intense beams for heavy-ion fusion Gardner, John Naval Res Lab 79950 m121 50,000 2,000 Multidimensional Simulations of High Gain Inertial Confinement Fusion Targets Ghoniem, Nasr UCLA 80101 jkt 100 Computer Simulations of Material Deformation Gohar, Yousry Argonne Lab 79763 m259 S 5,000 200 ANL Fusion Program (ALPS, APEX, Fusion Transmutation, Fusion Technology, and Material Development programs) Guzdar, Parvez U. Maryland 79871 m232 S 30,000 200 Microwave Generation for Fusion Applications Guzdar, Parvez U. Maryland 79872 m204 S 30,000 1,000 2D Driven Turbulence Guzdar, Parvez U. Maryland 79873 mp217 400,000 35,000 Fusion Energy Research Hanson, James Auburn Univ 80087 m174 S 15,000 2,500 Magnetic Diagnostic Design for CTH using the MFBE Code Held, Eric Utah State 80114 m127 50,000 1,000 Implementation of General Hybrid Fluid/Kinetic Model in NIMROD for Fusion Plasma Simulations Jardin, Stephen PPPL 79911 mp287 X 50,000 3,000 Magnetic Reconnection and pellet injection using AMR Jardin, Stephen PPPL 80037 mp288 X 1,055,000 8,000 3D Extended MHD simulation of fusion plasmas Jardin, Stephen PPPL 80054 mp286 350,000 6,000 Analysis and Design of Stellarator Configurations Kim, Jin-Soo FAR Tech 80106 jmt 50 A diagnostic tool for identification and visualization of RWM in tokamak plasmas Leboeuf, Jean-Noel UCLA 79757 mp201 60,000 1,000 Turbulent and MHD behavior of plasmas Leboeuf, Jean-Noel UCLA 79815 mp28 125,000 15,000 Fusion Plasma Modeling Using 3-D Particle-In-Cell Simulations at UCLA Lee, W PPPL 79998 mp19 1,450,000 1,000 3D Gyrokinetic Particle Simulation of Turbulence and Transport in Fusion Plasmas Lin, Yu Auburn Univ 79807 m206 S 30,000 5,000 Particle Simulations of Collisionless Magnetic Reconnection Mikkelsen, David PPPL 80002 m64 225,000 1,500 Experimental Tests of Gyrokinetic Simulations of Microturbulence Najmabadi, Farrokh UC San Diego 79879 mp203 50,000 1,100 Analysis and Design of Stellarator Divertor Configurations Via Field Line Tracing Najmabadi, Farrokh UC San Diego 80042 mp335 50,000 400 ARIES Fusion Power Plant Studies Navratil, Gerald Columbia Univ 80066 m186 S 15,000 700 Innovative High Beta Fusion Research Nebel, Rick Los Alamos La 79977 mp204 50,000 100 nonlinear studies of magnetically confined plasmas Nelson, Brian U. Washington 80051 m172 50,000 600 Helicity Injected Torus Current Drive and Compact Toroid Studies Pindzola, Michael Auburn Univ 79784 m41 X 280,000 2,000 Computational Atomic Physics for Fusion Energy (SciDAC) Punjabi, Alkesh Hampton Univ 79868 mp339 50,000 250 Support of an HBCU Center for Research and Training in Fusion Science and Related Areas at Hampton University Ram, Abhay MIT 79809 m224 600,000 3,000 Computational studies in plasma physics and fusion energy Rowan, William U. Texas, Aus 80132 mp285 50,000 200 Turbulence simulation and comparison with measurements on DIII-D and Alcator C-MOD, and new Institute for Fusion Studies projects Sampson, Douglas Penn State 79834 pen 600 Relativistic calculations of excitation and ionization of highly charged ions by electron impact Schnack, Dalton SAI Corp 80021 mp21 500,000 2,000 NIMROD Project: Extended Magnetohydrodynamic Modeling for Fusion Experiments Schnack, Dalton SAI Corp 80115 mp290 120,000 5,000 Magnetohydrodynamic Codes for Fusion Applications Schnack, Dalton SAI Corp 80174 m275 2,200,000 5,000 A Numerical Investigation of NTM Trigger Mechanisms Schultz, David Oak Ridge Lab 79783 mp48 150,000 1,000 Theoretical Atomic Physics for Fusion Energy Sovinec, Carl U. Wisconsin, 79933 mp200 125,000 4,000 Fluid-Based Modeling of Electromagnetic Activity in MFE Plasmas Spong, Don Oak Ridge Lab 79795 mp202 150,000 16,000 Plasma Confinement, Stability, Heating and Optimization in Stellarators and Tokamaks Tang, Xianzhu Los Alamos La 80009 m139 50,000 75 Nonlinearly implicit MHD and two-fluids simulation of fusion plasmas Turnbull, Alan General Atomi 79874 mp94 1,000,000 16,500 Simulation of Magnetic and Inertially Confined Fusion Plasmas Vahala, George William & Mar 79881 mp32 125,000 500 Lattice Boltzmann Simulations for Plasmas Ware, Andrew U. Montana 80008 mp205 50,000 1,000 Theory of Turbulent Heat and Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators Weitzner, Harold New York Univ 79769 m191 50,000 100 Advanced Stellarator Theory Weitzner, Harold New York Univ 79770 mp338 100,000 600 Advanced Toroidal Theory and Computation
DOE OFFICE : High Energy and Nuclear Physics DOE PROGRAM: High Energy Physics Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Aldering, Greg Berkeley Lab 79983 snfactry 600,000 The Nearby Supernova Factory Borrill, Julian Berkeley Lab 79841 mp107 1,098,000 50,000 Cosmic Microwave Background Data Analysis Borrill, Julian Berkeley Lab 80015 m75 50,000 1,800 Adaptive Mesh Refinement In Early Universe Field Theory Simulations Centrella, Joan NASA GSFC 79903 m185 S 30,000 2,500 Black Holes and Gravitational Waves: Simulations using Adaptive Mesh Refinement Fu, Yu Berkeley Lab 79799 e871 400,000 HyperCP (FNAL E871) Gupta, Rajan Los Alamos La 80058 mp273 656,000 10,000 Phenomenology with O(a) improved lattice QCD Guralnik, Gerald Brown Univ 80098 m89 S 10,000 3,000 Source Galerkin and Saddle Point Monte Carlo methods in Quantum Field Theory Habib, Salman Los Alamos La 80000 m248 35,000 40 Computational Cosmology Habib, Salman Los Alamos La 80078 mp345 53,000 50 Quantum Dynamical Systems Knox, Lloyd UC Davis 80176 m277 S 30,000 5,000 Statistics of Galaxy Cluster Peculiar Velocities Lamb, Susan Berkeley Lab 80178 m278 S 30,000 5,000 Dynamical Evolution of Galaxies Resulting from Collisions and Mergers Levi, Michael Berkeley Lab 79987 m219 400,000 50,000 SNAP simulation and analysis Loken, Stewart Berkeley Lab 80019 atlas 40,000 Simulation of ATLAS Physics Loken, Stewart Berkeley Lab 80095 atlas-dc 80,000 ATLAS Data Challenges Ma, Chung-Pei UC Berkeley 80187 m289 S 30,000 2,000 Dark Matter Halo Evolution Perlmutter, Saul Berkeley Lab 79956 deepsrch 25,000 Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Primack, Joel UC Santa Cruz 79830 mp363 323,000 15,000 Galaxy Formation Simulations Shapiro, Marjorie Berkeley Lab 80086 fermi 7,000 Physics Analysis of CDF (Collider Detector at Fermilab) Data Shigemitsu, Junko Ohio State 79902 mp268 50,000 14,000 Heavy-Light Physics with NRQCD Heavy and Improved Staggered Light Quarks Sinclair, Donald Argonne Lab 79831 mp27 1,161,000 30,000 Lattice QCD at finite temperature and densities and related topics. Smoot, George Berkeley Lab 79931 amanda 75,000 Large Astrophysical Data Sets: Data analysis and simulation of astro- physical neutrinos, dark matter and dark energy in AMANDA, IceCube and SNAP. Soni, Amarjit Brookhaven La 79934 mp29 155,000 50,000 Constraining the Standard Model Paradigm of CP Violation using domain wall fermions Thacker, Robert McMaster U 80182 m281 S 30,000 5,000 Simulating Galaxy Formation and Clustering: Code Testing Toussaint, Doug U. Arizona 79812 mp13 2,797,000 6,000 High temperature QCD with three flavors of improved Kogut-Susskind quarks White, Martin UC Berkeley 79760 m68 60,000 3,000 Constraining dark energy with clusters of galaxies White, Martin UC Berkeley 79761 m195 25,000 1,000 Small scale structure at high redshift
DOE OFFICE : High Energy and Nuclear Physics DOE PROGRAM: HEP / Accelerator Physics Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Esarey, Eric Berkeley Lab 79990 mp278 170,000 6,000 Numerical Simulations of Advanced High Energy Acceleration Techniques and Applications Furman, Miguel Berkeley Lab 80044 mp93 50,000 100 Beam dynamics issues in the new high-intensity particle colliders and storage rings Katsouleas, Thomas U. SCaliforni 80067 mp275 100,000 5,000 Program for Plasma-Based Concepts for Future High- Energy Accelerators Kim, Jin-Soo FAR Tech 80064 jgx 50 Pulse-to-Pulse Emittance Measurement System Mori, Warren UCLA 79892 mp113 600,000 40,000 continuing studies of plasma based accelerators Petillo, John SAI Corp 80088 m244 S 10,000 1,000 Dissemination and Support of the MICHELLE and ARGUS codes with Application to Accelerator Design Problems Ryne, Robert Berkeley Lab 79979 gc2 X 1,000,000 25,000 SciDAC Advanced Computing for 21st Century Accelerator Science and Technology Project Sprangle, Phillip Naval Res Lab 79918 mp343 60,000 50 High Energy Laser-Driven Acceleration Based on the Laser Wakefield Accelerator Yu, David Duly Research 79887 mp340 50,000 500 Planar Accelerators for Future Linear Colliders; X-band PWT Photoinjectors
DOE OFFICE : High Energy and Nuclear Physics DOE PROGRAM: Nuclear Physics Requestor Name Site Request Repo MPP HPSS Request Title Id Hours SRUs
Alhassid, Yoram Yale Univ 80121 mp69 50,000 2,500 Monte Carlo Methods for Nuclear Structure Alhassid, Yoram Yale Univ 80127 mp283 50,000 2,000 Chaos in Mesoscopic Sysytems: from Nuclei to Quantum Dots Arons, Jonathan UC Berkeley 79995 mp274 100,000 5,000 Formation and Collimation of Pulsar Winds Brown, Virginia MIT 79894 m173 S 10,000 750 Electroweak and Electromagnetic Interactions in the Nucleon-Nucleon System Carlson, Joseph Los Alamos La 79817 mp33 175,000 1,000 Quantum Monte Carlo for Nuclei and Nuclear/Neutron Matter Chasman, Richard Argonne Lab 79913 mp327 250 Many Body and Mean Field Nuclear Structure Studies Cotanch, Stephen NC State 79954 m99 S 30,000 50 Hadron Structure and Interactions Crowe, Ken Berkeley Lab 79976 ucbmep 30,000 Precision measurements of the lifetime of free and bound muons Dean, David Oak Ridge Lab 79869 m203 50,000 100 Computational nuclear many-body problem Elster, Charlotte Ohio Univ 80025 mp20 50,000 1,000 Three Nucleon Scattering and Bound State Calculations in Three Dimensions Freedman, Stuart Berkeley Lab 80079 kamland 400,000 Data Analysis and Simulations for KamLAND Gao, Haiyan Duke Univ 80059 m154 50,000 50,000 Polarized electron scattering from polarized 3He nucleus Ji, Chueng-Ryong NC State 79771 m230 S 20,000 50 Quantum Chromodynamic Quark Model Analysis of Hadron Elastic and Transition Form Factors Kahana, Sidney Brookhaven La 79833 mp90 342,000 400 Nuclear Astrophysics: Synthetic Spectra of Astrophyical Objects Klein, Richard UC Berkeley 79959 m231 50,000 9,000 Toward a Comprehensive Theory of Star Formation Lee, Frank George Wash U 79967 m102 400,000 100,000 Excited Baryon Physics with Improved Lattice QCD Actions Li, Rui Jefferson Lab 80128 mp159 287,000 200 Effects of Coherent Synchrotron Radiation on Accelerator Performance Liu, Keh-Fei U. Kentucky 79818 mp7 1,100,000 70,000 Lattice QCD Monte Carlo Calculation of Hadron Structure Lomon, Earle MIT 80022 m227 S 20,000 50 Reactions, Resonances and Electromagnetic Form- factors in Coupled Channel Hadron and Quark Systems Lousto, Carlos U. Texas, Brn 79794 m199 400,000 100 Simulations of plunging Binary Black Holes Loveland, Walter Oregon State 79804 m136 50,000 110,000 Electronic structure of systems of superheavy elements Mezzacappa, Anthony Oak Ridge Lab 79940 mp124 X 565,000 3,000 Shedding New Light on Exploding Stars: TeraScale Simulations of Neutrino- Driven Supernovae and Their Nucleosynthesis Mihaila, Bogdan Argonne Lab 80080 m79 50,000 10 Phase transition studies of nonequilibrium quantum field theory. Negele, John MIT 79800 mp133 334,000 450,000 Exploration of Hadron Structure using Lattice QCD Nolen, Jerry Argonne Lab 79851 mp362 50,000 8,000 Rare Isotope Accelerator - Target and Shielding Studies Nugent, Peter Berkeley Lab 79957 mp22 1,800,000 1,000 Spectrum Synthesis of Supernovae Oberacker, Volker Vanderbilt Un 79936 m202 15,000 50 Mean Field Nuclear Structure Theory (HFB) for Nuclei Near the proton/neutron Driplines Odyniec, Grazyna Berkeley Lab 80043 alice 60,000 Simulations for the ALICE experiment at LHC Olson, Doug Berkeley Lab 79845 mp46 100,000 Storage for Nuclear Physics Computations using PDSF at NERSC Olson, Doug Berkeley Lab 79846 gc5 1,300,000 STAR Detector Simulations and Data Analysis Pieper, Steven Argonne Lab 79876 mp26 556,000 10,000 Exact Calculations of Light Nuclei Using Realistic Interactions Roberts, Craig Argonne Lab 80038 mp280 50,000 100 Dyson-Schwinger Equations: Continuum Strong QCD and Hadron Physics Schiavilla, Rocco Jefferson Lab 80018 m69 S 20,000 50 Electro-Weak Structure of Light Nuclei Seidel, Edward Max Planck In 79906 m152 50,000 20,000 Black Hole Merger Simulations Vary, James Iowa State 80004 m94 50,000 5,000 Intermediate and High Energy Nuclear Physics: Structure and Reactions of Hadrons and Nuclei; Non- perturbative Solutions of Strongly Interacting Fields Woosley, Stan UC Santa Cruz 79749 m106 X 1,670,000 50,000 The UCSC/UA/LANL/LLNL Supernova Science Center Yunn, Byung Jefferson Lab 79962 m216 S 10,000 200 Accelerator Physics Studies of Applications of Superconducting Linacs
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