2009 Initial Allocations Awards
The following table lists the initial allocation awards for NERSC for the 2009 allocation year (Jan 13, 2009 through Jan 11, 2010). The list is in alphabetical order by the last name of the Principal Investigator.If you have any questions about your allocation, see NERSC Allocation Managers.
Note - Letters following the repository name indicate the following:
| `S' | NERSC Startup award |
|---|---|
| `I' | INCITE award |
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Adams, Paul Berkeley Lab 83193 m811 80,000 200,000 The Joint Bioenergy Institute (JBEI) Agarwal, Deborah Berkeley Lab 83032 m510 20,000 60,000 Berkeley Water Center Agarwal, Deborah Berkeley Lab 83033 mpdsd 15,000 100,000 CRD Advanced Computing for Science Department Guest Accounts Al-Jassim, Mowafak NREL 82896 mp308 50,000 1,000 Theoretical simulations of effects of extended and point defects on the properties of advanced PV materials Aldering, Greg Berkeley Lab 82964 m112 15,000 1,800,000 The Nearby Supernova snfactry Factory Alhassid, Yoram Yale Univ 82960 mp69 300,000 1,000 Statistical Many-Body Studies of Nuclei and Quantum Dots Andersen, Richard Berkeley Lab 82724 m782 30,000 500 Calculations of reaction pathways for complexes of f-block metals with experimentally realistic ligands Andricioaei, Ioan UC Irvine 83061 m739 1,500,000 1,000 Energetics of the Mechano- Chemical Coupling in DNA- Protein and DNA- Nanoparticle Complexes Annamalai, H. U. Hawaii 83068 m774 250,000 500 Future Projections of Mean and Variability of the Asian summer monsoon and Indian Ocean climate system Arons, Jonathan UC Berkeley 82877 m677 200,000 25,000 Particle acceleration in astrophysical collisionless shocks Aspuru-Guzik, Alan Harvard Univ 83075 m702 S 15,000 1,000 Computational design of novel organic photovoltaic materials with improved hole- and electron- transport properties. Autrey, Tom PNNL 83196 m852 S 15,000 500 Control of Hydrogen Release and Uptake in Condensed Phases
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Babikov, Dmitri Marquette 82864 m409 250,000 5,000 Coherent Control of the Univ Ground Electronic State Molecular Dynamics Baddourah, Majdi Saudi Aramco 83110 m854 S 15,000 500 Benchmark of POWERS Oil Simulator Baden, Scott UC San Diego 82878 m821 S 15,000 500 Non-SPMD graph-based execution Bai, Zhaojun UC Davis 83054 m746 25,000 500 Next Generation Multit- Scale Quantum Simulation Software for Strongly Correlated Materials Bailey, David Berkeley Lab 82839 m88 800,000 10,000 The Performance Engineering Research Institute Bailey, David Berkeley Lab 82854 mp207 20,000 1,000 Experimental Mathematics and High-Precision Software Balaji, V Princeton 83228 m743 2,610,000 100,000 Coupled High-Resolution Univ Modeling of the Earth System Balasubramanian, Krishnan CSU East Bay, 83092 m719 80,000 500 Electronic Structure of Hayward Tranisition Metal Clusters and Environmental Actinide Complexes Balbuena, Perla Texas A&M 82951 m249 200,000 5,000 Computational chemistry Univ search of efficient catalysts Balbuena, Perla Texas A&M 82952 m668 15,000 1,000 Catalyzed growth of carbon Univ nanotubes Bansil, Arun Northeastern 82752 m225 70,000 1,000 Correlation Effects, Magnetism, and Spectroscopy of Complex Materials, including Nanosystems Barad, Michael Stanford Univ 82723 m502 750,000 100,000 Multiscale Simulations of Oceanic Internal Gravity Waves Baron, Edward U. Oklahoma 82745 mp90 350,000 20,000 Synthetic Spectra of Astrophysical Objects Batchelor, Don Oak Ridge 83016 m876 750,000 3,000 Center for Simulation of Wave Interactions with MHD Batista, Victor Yale Univ 83112 m410 50,000 1,000 QM/MM Studies of High- Valent Manganese Complexes Batista, Victor Yale Univ 83122 mp311 50,000 1,000 Simulations of electron- hole relaxation dynamics on functionalized TiO2- anatase surfaces Behling, Pat U. Wisc. 83120 m285 100,000 85,000 Towards the prediction of Madison decadal to mult-century processes in a high- throughput climate system model Bell, John Berkeley Lab 82762 mp111 2,500,000 3,500,000 Applied Partial Differential Equations Center Bell, John Berkeley Lab 83020 incite16 I 3,000,000 4,000,000 Interaction of Turbulence and Chemistry in Lean Premixed Laboratory Flames Benedek, Roy Argonne 82719 mp169 20,000 1,000 First Principles Calculations for Lithium- Ion Battery Electrodes and Electrode Coatings Berg, Bernd Florida State 82860 m839 50,000 2,000 Deconfined Equilibrium with Confined Boundary Conditions in SU3 Lattice Gauge Theory (Continuation as Startup Proposal for 2009) Bergmann, Dan Livermore Lab 82887 mp163 40,000 50,000 Atmospheric Formation, Transformation, and Radiative Forcing of Acid- Catalyzed Secondary Organic Aerosols Bethel, Edward (Wes) Berkeley Lab 83085 m636 100,000 250,000 SciDAC2 Visualization and Analytics Center for Enabling Technologies Bhattacharjee, Amitava U. New 82909 m148 150,000 60,000 Center for Integrated Hampshire Computation and Analysis of Reconnection and Turbulence Boman, Erik Sandia Lab NM 82829 m708 15,000 500 Combinatorial scientific computing: load balancing and matrix ordering. Bonoli, Paul MIT 82791 m77 1,000,000 2,000 Center for Simulation of Wave-Plasma Interactions: SciDAC Project Bonoli, Paul MIT 83211 incite21 I 5,000,000 50,000 Integrated Simulations of Energetic Particles Driven by High Power Electromagnetic Waves in Fusion Plasmas Borrill, Julian Berkeley Lab 82970 cmbpol 80,000 50,000 Simulations and analyses for CMBpol mission concept studies Borrill, Julian Berkeley Lab 82971 planck 500,000 200,000 Cosmic Microwave Background Data Analysis For The Planck Satellite Mission Borrill, Julian Berkeley Lab 82972 mp107 100,000 55,000 Cosmic Microwave Background Data Analysis For Sub-Orbital Experiments Bowman, Joel Emory Univ 82943 m651 600,000 4,000 Theoretical studies of combustion dynamics Braams, Bastiaan Emory Univ 83164 m631 300,000 2,000 Hydrocarbons in plasma Branstetter, Marcia Oak Ridge 83142 m543 10,000 1,000 River Transport and Hydrology in CCSM Brennan, Dylan U. Tulsa 83057 m908 200,000 10,000 Numerical Extended Magnetohydrodynamics in Toroidal Magnetic Confinement Broadbelt, Linda Northwestern 82888 m763 20,000 500 Cooperative Effects in Aldol-type Reactions Catalyzed by L-proline and Its Derivatives: A DFT Study Brown, Virginia MIT 82945 m173 1,000 1,000 Electroweak and Electromagnetic Interactions in the Nucleon-Nucleon System; Pion Production; Double Beta Decay Bruhwiler, David Tech-X Corp 82780 m327 450,000 10,000 Parallel Simulation of Electron Cooling Physics and Beam Transport
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Cameron-Smith, Philip Livermore Lab 83081 m411 90,000 80,000 Interaction of Atmospheric Chemistry and Aerosols with Climate Canning, Andrew Berkeley Lab 83156 m126 200,000 20,000 Mathematical/Computational Methods for Electronic Structure Codes in Nanoscience Carlson, Joseph Los Alamos 82833 m308 750,000 10,000 Low-Energy Nuclear Physics Lab National HPC Initiative: Building a Universal Nuclear Energy Density Functional Caro, Alfredo Livermore Lab 83089 mp43 50,000 15,000 Microstructure evolution in irradiated materials Carter, Jonathan Berkeley Lab 83034 mphpcd 15,000 1,000 NERSC High Performance Computing Department Training Accounts Cassak, Paul West Virginia 82819 m866 50,000 40,000 Onset and Evolution of Univ Magnetic Reconnection in Three Dimensions Cattaneo, Fausto U. Chicago 83177 m557 17,000 40,000 Magneto-rotational instability and turbulent angular momentum transport Cessi, Paola Scripps Inst 83076 m699 2,000,000 5,000 The Role of Eddies in the Meridional Overturning Circulation Chan, Yuen-Dat Berkeley Lab 82832 babar 60,000 Storage for Nuclear e895 Physics Computations using e896 PDSF at NERSC mp46 na49 nsd rhicthry sno Chan, Yuen-Dat Berkeley Lab 82858 majorana 20,000 Majorana - Neutrinoless Double Beta Decay Chang, Choong-Seock Courant Inst 82926 m499 3,000,000 10,000 Center for Plasma Edge Simulation: SciDAC FSP Prototype Center Chelikowsky, James U. Texas 82911 m175 50,000 5,000 Electronic, Magnetic and Austin Structural Properties of Localized Systems Chelikowsky, James U. Texas 82919 m433 800,000 10,000 Scalable Methods for Austin Electronic Excitations and Optical Responses of Nanosctructures: Mathematics to Algorithms to Observables Chen, Jacqueline Sandia Lab CA 83044 mp241 1,600,000 300,000 Direct Numerical Simulations of Clean and Efficient Combustion with Alternative Fuels Chen, Liu UC Irvine 82845 m92 1,000,000 10,000 Nonlinear Instability and Turbulent Transport Simulations Chen, Yang U. Colorado 82776 mp118 250,000 1,500 Kinetic simulation of Boulder plasma microturbulence, kinetic MHD phenomena and magnetic reconnection processes Cheng, Hai-Ping U. Florida 82957 mp261 700,000 10,000 Multiscale Simulations of Particle-, Molecule- Surface Interactions, simulations of nanowires: Structure, dynamics, and quantum transport, and structure and electronic structure of high Tc materials Childs, Hank Livermore Lab 83040 visit 15,000 1,000 VisIt Ching, Wai-Yim U. Missouri 82842 mp250 750,000 1,000 Theoretical Studies of the KC Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials Chou, Mei-Yin Georgia Tech 82884 mp258 25,000 5,000 First-Principles Investigation of Complex Materials Properties Chou, Mei-Yin Georgia Tech 82949 m663 15,000 3,000 Phase Stability and Reaction Dynamics of Metal Hydrides Choudhary, Alok Northwestern 82848 m844 75,000 500 Parallel I/O software infrastructure for large- scale systems Chrzan, Daryl Berkeley Lab 82985 mp110 100,000 1,000 Computational Materials Science Chu, Jhih-Wei UC Berkeley 83052 m787 150,000 10,000 Activation and Stabilization of Enzymes in Non-aqueous Environments Chuang, Catherine Livermore Lab 83003 m428 50,000 100,000 Aerosol Forcings and Consequences on Climate Changes Clarke, Leon PNNL 82995 m898 500,000 1,000 Climate change scenario discovery and uncertainty project Cohen, Bruce Livermore Lab 82708 gc3 1,000,000 12,000 Magnetic Fusion Plasma Microturbulence Project Cohen, Bruce Livermore Lab 82709 mp2 150,000 30,000 LLNL MFE Supercomputing Cohen, Marvin Berkeley Lab 82730 mp173 250,000 20,000 Ab Initio Prediction of Structural and Electronic Properties of Materials Collins, William Berkeley Lab 83010 m833 S 15,000 2,000 Integrated Earth Systems Climate Modeling and Analysis Colvin, Michael UC Merced 82778 m732 500 Molecular Dynamics Simulations of Nucleoporin Clusters and Aggregates Compo, Gil U. Colorado 82934 incite11 I 1,000,000 1,000,000 Surface Input Reanalysis Boulder for Climate Applications (SIRCA) 1850-2011 Comstock, Jennifer PNNL 82816 m738 60,000 10,000 Cloud Resolving Modeling of Tropical Deep Convection Covey, Curtis Livermore Lab 82928 mp193 20,000 2,000,000 Program for Climate Model Diagnosis and Intercomparison Crane, Gregory Tufts 83207 m855 250,000 15,000 Large-Scale Learning and University the Automatic Analysis of Historical Texts Cummings, Peter Vanderbilt 82773 mp138 550,000 5,000 Molecular-Based Simulation Univ of Complex and Nanostructured Fluids Cummings, Peter Oak Ridge 83116 m535 100,000 1,000 Physics on the computer: Molecular Electronics at realistic length scales Curtiss, Larry Argonne 83163 m440 20,000 1,000 Catalytic Reaction Mechanisms in Nanoporous Membranes
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
D'Ippolito, Daniel Lodestar 83030 m376 1,000 1,000 Edge, SOL and Divertor Corp. Modeling Daggett, Valerie U. Washington 82838 m559 1,500,000 30,000 Molecular Dynameomics Davidson, Ronald PPPL 82982 m74 40,000 10,000 Nonlinear Delta-f Particle Simulation of Collective Effects for Heavy Ion Fusion Drivers and High Intensity Particle Accelerators Davidson, Ronald PPPL 83023 m314 20,000 1,000 Simulations of Field- Reversed Configuration and Other Compact Tori Plasmas Daw, Murray Clemson Univ 82914 m638 100,000 1,000 Theoretical modeling of thermoelectric materials De Jong, Wibe PNNL 82869 m834 50,000 1,000 Modeling the Influence of Solution Phase and Interfacial Structure on the Stability of Actinide Oxidation States De Jong, Wibe PNNL 82983 mp15 200,000 1,000 EMSL Molecular Science Software Capability Development, NERSC Performance Improvement, and Benchmarking De Jonghe, Lutgard Berkeley Lab 83175 m877 S 15,000 500 Proton Conduction in Lanthanum Meta-Phosphates using Nudged Elastic Band Calculations DeWeaver, Eric U. Wisc. 83141 m431 20,000 35,000 Dynamics of Arctic and Madison sub-Arctic climate and atmospheric circulation: diagnosis of mechanisms and biases using data assimilation Dean, David Oak Ridge 82989 m203 500,000 1,000 Computational nuclear many-body problem Decyk, Viktor UCLA 82853 mp201 30,000 60,000 Turbulent and MHD behavior of plasmas Demmel, James UC Berkeley 83029 mp156 53,000 2,000 Linear Algebra Algorithms on High Performance Computers Derenzo, Stephen Berkeley Lab 83102 m551 100,000 20,000 Electronic structure calculations of new scintillator materials Detmold, William U. Washington 82711 m789 1,400,000 200,000 Physics of bottom baryons in lattice QCD Devereaux, Thomas SLAC 82825 m772 200,000 500 Simulation of Photon Spectroscopies for Correlated Electron Systems Diamond, Pat UC San Diego 82954 m786 2,000,000 100,000 Fusion SciDAC: Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas Dimitrov, Dimitre Tech-X Corp 82782 m446 30,000 2,000 3D Modeling of an Electron Gun with a Diamond Amplifier Doniach, Sebastian Stanford Univ 83157 m661 20,000 1,000 Electrostatic and Conformational Entropy Effects in Structured Nucleic Acid Systems Dorland, William U. Maryland 83161 mp217 250,000 85,000 Turbulence, Transport and Magnetic Reconnection in High Temperature Plasma Dorland, William UCLA 83165 m414 500,000 55,000 Fusion Science Center For Multiscale Plasma Dynamics Dunietz, Barry U. Michigan 83123 m467 15,000 500 Ab-initio design of molecular scale electronic devices and materials for alternative fuel technology. Dupuis, Michel PNNL 82803 m544 100,000 1,000 Charge Transfer, Transport, and Reactivity in Complex Environments.
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Elster, Charlotte Ohio Univ 83064 mp20 125,000 1,000 Three Nucleon Scattering and Bound State Calculations in Three Dimensions
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Faller, Roland UC Davis 82807 m474 50,000 5,000 Polymers in confined geometries Fast, Jerome PNNL 82820 m754 1,000,000 175,000 Regional Multi-scale Modeling of Aerosol Radiative Impact on Climate Fawley, William Berkeley Lab 82817 mp197 1,000 1,000 Numerical Simulation of Short-Wavelength Free- Electron Lasers for Future Light Sources Felmy, Andrew PNNL 83063 mp119 500,000 7,000 Computational Studies in Molecular Geochemistry Fleming, Graham Berkeley Lab 83042 mp364 50,000 15,000 Simulations of nonlinear optical spectra and energy transfer dynamics of photosynthetic light- harvesting complexes. Fox-Rabinovitz, Michael U. Maryland 82906 m527 30,000 500,000 Decadal Climate Studies with Enhanced Variable and Uniform Resolution GCMs Using Advanced Numerical Techniques Fox-Rabinovitz, Michael U. Maryland 82938 m893 20,000 100,000 Development of ensemble neural network convection parameterizations for climate models using ARM data Franceschetti, Alberto NREL 82962 m352 50,000 1,000 Electronic excited states in semiconductor quantum dots Freedman, Stuart UC Berkeley 82916 cuore 15,000 Data Analysis and Simulation for the CUORE Neutrinoless Double Beta Decay Experiment Freedman, Stuart Berkeley Lab 83059 kamland 4,000,000 Data Analysis and Simulations for KamLAND Freeman, Arthur Northwestern 82927 mp134 400,000 1,000 Electronic Structure and Novel Properties in Complex Oxides and Hetero- interfaces Freericks, James Georgetown 83212 incite22 I 2,250,000 10,000 Massively parallel Univ simulation of pump-probe time-resolved photoemission Fridlind, Ann NASA GISS 82923 m843 300,000 14,000 Arctic Stratus and Tropical Deep Convection: Integrating Measurements and Simulations Friedman, Alex Livermore Lab 82882 mp42 100,000 6,000 Simulation of intense beams for heavy-ion-fusion science Fu, Guoyong PPPL 83115 m912 1,500,000 10,000 Plasma Energetic Particle Simulation Center Fung, Inez UC Berkeley 82710 m189 300,000 110,000 Carbon Data Assimilation with a coupled Ensemble Kalman Filter Furman, Miguel Berkeley Lab 83127 mp93 5,000 1,000 Beam dynamics issues in the new high-intensity particle colliders and storage rings
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Galli, Giulia UC Davis 83154 m542 500,000 5,000 First principles simulations of nanostructures Garrett, Bruce PNNL 82961 mp329 400,000 1,000 Chemical reactivity, solvation and multi- component heterogeneous processes in aqueous environments Geddes, Cameron Berkeley Lab 83071 m558 2,000,000 300,000 Particle simulation of laser wakefield particle acceleration Geissler, Phillip UC Berkeley 82831 m628 200,000 1,000 Rare but dramatic evolutionary events in a microscopic model of protein-like chain molecules Gel, Aytekin Morgantown 83144 m813 5,000 1,000 Performance Improvement of ETC MFIX with scalable linear equation solvers (PETSc and hypre) Ghosh, Gautam Northwestern 83182 m921 150,000 1,000 Computational Design and Prototype Evaluation of Aluminide Strengthened Ferritic Superalloys for Power Generating Turbine Applications Ginovska, Bojana PNNL 83223 m919 S 15,000 1,000 The Reaction Specificity of Nanoparticles in Solution Gohar, Yousry Argonne 82908 m259 30,000 1,000 ANL Fusion Program Gratta, Giorgio Stanford Univ 83087 saund 10,000 Study of Acoustic Underwater Neutrino Detection Gray, Stephen Argonne 82910 m430 400,000 1,000 Nanoscale Electrodynamics Gray, Stephen Argonne 82918 mp166 10,000 5,000 Quantum Dynamics of Chemical Reactions Greene, Chris U. Colorado 82871 mp318 25,000 5,000 Molecular Dissociation by Boulder Electron Impact Grossman, Jeffrey UC Berkeley 82796 m884 100,000 5,000 Predicting X-ray absorption spectra of CdSe surface from first principles Grossman, Jeffrey UC Berkeley 82797 m900 100,000 500 Nanostructured Thermoelectric Materials Grossman, Jeffrey UC Berkeley 82801 m655 500,000 1,000 Quantum Simulations of Nanoscale Solar Cells Grossman, Jeffrey UC Berkeley 83083 m910 100,000 500 Tunable Thermodynamics and Kinetics for Hydrogen Storage Grosvenor, Allan Ramgen Power 83139 m814 S 15,000 5,000 Accelerated Design Space Sys Search and Optimization for Computational Fluid Dynamics Applications in Turbomachinery Guo, Hua U. New Mexico 82736 m627 200,000 1,000 Quantum dynamics of combustion reactions Gutowski, William Iowa State 82965 m612 20,000 2,500 Continuous Dynamic Grid Adaptation in a Global Atmospheric Model
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Haas, Stephan U. South 83126 m157 120,000 500 Quantum Spin Systems with California Geometric Frustration in High Magnetic Fields Haranczyk, Maciej Berkeley Lab 82850 m875 S 15,000 500 Development of cheminformatics tools and approaches involving quantum chemical calculations Harkay, Katherine Argonne 83036 m878 100,000 10,000 Solid state physics calculations for the modeling and design of low transverse emittance photocathodes Harmon, Bruce Ames Lab 82963 mp344 150,000 1,000 Electronic and structural properties of surfaces and interfaces Harmon, Bruce Ames Lab 83018 mp101 5,000 1,000 Photonic Band Gap Materials Harris, Charles UC Berkeley 82798 m399 50,000 1,000 Computational Modeling and Simulation of Organometallic Complexes in Solution Head-Gordon, Martin Berkeley Lab 82781 mp54 200,000 7,000 Electronic structure and simulation calculations of reactive chemical systems Head-Gordon, Teresa UC Berkeley 82733 m657 1,050,000 5,000 Advanced Theoretical Models to Characterize the Alzheimers Abeta Peptide Head-Gordon, Teresa UC Berkeley 82734 mp53 330,000 1,000 Global Optimization Approaches for Protein Structure Prediction Head-Gordon, Teresa Berkeley Lab 82735 m506 150,000 2,000 Simulation Studies of Bulk Water and Hydration Water at Interfaces Held, Eric Utah State 83114 m127 50,000 1,000 Application of Parallel Kinetic Closures in NIMROD for Fusion Plasma Simulations Hingerty, Brian Oak Ridge 82859 mp106 1,000 Crystallographic, NMR and Molecular Modeling Calculations of Carcinogen Modified DNA, Protein-DNA Complexes and Cyclodextrin Inclusion Complexes Ho, Kai-Ming Ames Lab 83109 m529 400,000 1,000 Predictive Modeling of the Growth and Properties of Energy-Relevant Thin Film and Nanostructures (a CMSN Project) Hoffmann, Roald Cornell Univ 83058 m846 S 15,000 2,000 Computational Studies of Geometric and Electronic Structures of Catalysts under Uniaxial Stress
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Im, Hong U. Michigan 83048 m217 500,000 12,000 Direct Numerical Simulation of Turbulent Flame-Soot-Radiation Interactions at High Pressure Izzo, Valerie General 83001 m455 100,000 1,000 Disruption and disruption Atomics mitigation simulations
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Jacobs, Peter Berkeley Lab 83004 alice 10,000 2,000,000 Data analysis and simulations for the ALICE experiment at the LHC Jardin, Stephen PPPL 82741 mp287 200,000 5,000 Magnetic Reconnection Studies and Pellet Injection/ELMs in Tokamaks using AMR Jardin, Stephen PPPL 82767 mp286 5,000 10,000 Analysis and Design of Stellarator Configurations Jardin, Stephen PPPL 82973 mp288 1,500,000 12,000 3D Extended MHD simulation of fusion plasmas Jarrell, Mark U Cincinnati 82917 m913 400,000 40,000 Next Generation Multi- Scale Quantum Simulation Software for Strongly Correlated Materials Jellinek, Julius Argonne 82765 m196 150,000 2,000 Structure, Energetics and Dynamics of Metal, Including Alloy, Nanoparticles; Interactions of Clusters with Molecules and Surfaces Jena, Puru Virginia Comm 82809 m847 150,000 1,000 Supported, Coated, and Univ Ligated Metal Clusters Ji, Chueng Ryong North 82769 m230 20,000 5,000 Quantum Chromodynamic Carolina Analysis of Hadron State Structure and Application to Cosmology Jiang, De-en Oak Ridge 82726 m697 75,000 500 Computational study for chemistry of novel separations Johnson, Donald U. Wisc. 82904 m167 20,000 26,000 Coupled Climate - Madison Chemistry/Aerosol Modeling Jones, Andrew Colorado 83197 m885 S 15,000 1,000 Environmental Data State Assimilation Judd, Eleanor UC Berkeley 82988 euso 3,000 Extreme Universe Space Observatory
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Kalinichev, Andrey Michigan 83093 m645 40,000 500 Molecular Dynamics of State Geologically Important Fluids and Mineral-Fluid Interfaces Karplus, Martin Harvard Univ 82728 gc8 900,000 200,000 Molecular simulations of biological processes coupled to biofuel production: from ATP regulated molecular motors, to DNA repair enzymes, to signal transduction proteins and enzyme catalysis in the glycolytic pathway. Kent, Paul Oak Ridge 82727 m526 4,000,000 100,000 Computational Resources for the Nanomaterials Theory Institute at the Center for Nanophase Materials Sciences Kim, Kwiseon NREL 82790 m514 60,000 1,000 Electronic Structure and Reaction Mechanism of [FeFe] Hydrogenases Kiryluk, Joanna Berkeley Lab 83166 icecube 40,000 Simulation and Analysis for IceCube Klein, Richard UC Berkeley 82804 m231 175,000 350,000 Formation of High-Mass Star Clusters Ko, Kwok SLAC 82785 m349 390,000 5,000 Advanced Modeling for Particle Accelerators Kogan, Boris UCLA 82722 mp66 10,000 1,000 Fibrillation and defibrillation of cardiac simulated tissue in the presence of Ca-induced early and delayed after depolarizations. Koller, David U. Virginia 83209 m862 500,000 100,000 High Performance Computing for Processing and Analysis of Digitized 3D Models of Cultural Heritage Koplik, Joel City College 82821 mp247 60,000 1,150 Particulate transport in NY self-affine fractures Kotamarthi, V. Rao Argonne 82975 m184 50,000 1,000 High-Spatial Resolution Models of Atmospheric Chemistry, Aerosols for Regional Scale Climate Simulations Krakauer, Henry William & 83146 m393 10,000 500 Quantum Monte Carlo Mary studies Kral, Petr U. Illinois 82924 m624 250,000 500 Multiscale Modeling of Chicago Molecular Delivery in Nanomedicine and Nanofluidics Kritz, Arnold Lehigh Univ 83046 m649 100,000 8,000 Integrated modeling simulations for the plasma edge Kronik, Leeor Weizmann Inst 82758 incite17 I 810,000 10,000 Understanding the Science electronic structure of novel electronic materials using many-body perturbation theory Kronik, Leeor Weizmann Inst 83113 m716 200,000 5,000 GW calculations of Science magnetic materials Kruger, Scott Tech-X Corp 82786 m681 200,000 5,000 Fusion Application for Core-Edge Transport Simulations Kruger, Scott Tech-X Corp 82986 mp21 200,000 10,000 NIMROD Project: Extended Magnetohydrodynamic Modeling for Fusion Experiments
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Lacis, Andrew NASA GISS 82996 m238 10,000 1,000 Theoretical Calculation of Water Vapor Continuum Absorption Lamarque, Jean-Francois NCAR 82874 m330 150,000 50,000 Simulation of 20th-century and 21st-century climate and composition with interactive chemistry in CAM3: identifying the role of climate and climate composition in simulated trends and air quality Landman, Uzi Georgia Tech 82706 mp97 200,000 25,000 Quantum and classical simulations of clusters, self-assembly. nano-scale manupulations, nanotribology, and biological processes Langston, Michael U. Tennessee 82761 m760 50,000 1,000 Scalable Computational Methods for the Analysis of High-Throughput Biological Data Lany, Stephan NREL 83149 m777 S 15,000 1,000 Designing New Materials for Water Splitting from Solid Solutions of Semiconductor Compounds Leboeuf, Jean-Noel U. Alaska 82851 m616 25,000 1,000 Gyrokinetic Studies of Non-Diffusive Transport Lee, Frank George Wash 82993 m102 350,000 500,000 Hadron Physics from Univ Lattice Quantum Chromodynamics Lee, T. S. Harry Jefferson Lab 82849 m615 350,000 1,000 Dynamical Coupled-channel Analysis of Nucleon Resonances at Excited Baryon Analysis Center Lee, Wei-li PPPL 82873 mp19 2,500,000 50,000 Turbulent Transport and Multiscale Gyrokinetic Simulation Lee, Xuhui NCAR 83079 m640 1,000,000 150,000 Influences of the Boundary Layer Flow on Vegetation- Air Exchanges of Energy, Water and Carbon Dioxide Lele, Sanjiva Stanford Univ 82868 m837 1,000,000 60,000 Simulations of turbulent flows with strong shocks and density variations Leng, Yongsheng George Wash 82903 m889 100,000 2,000 Multi-timescale molecular Univ simulation study of nanoconfined fluids, nanomechanics and self- assembly at organo- metallic interfaces Lester, William Berkeley Lab 82875 mp208 500,000 2,000 Quantum Monte Carlo for Electronic Structure of Molecules Li, Rui Jefferson Lab 83074 mp159 5,000 500 Effects of Coherent Synchrotron Radiation on Accelerator Performance and beam-beam simulations Li, Rui Jefferson Lab 83150 m728 77,000 1,500 Computer simulation studies of electron cooling and beam-beam interaction for the Electron-Ion Collider based on CEBAF Lin, Guang PNNL 83198 m920 S 15,000 1,000 Stochastic Analysis of Advection-Diffusion- Reaction Systems with Applications to Reactive Transport in Porous Media Lin, Guang PNNL 83222 m922 S 15,000 1,000 Northwest Consortium for Multiscale Mathematics and Application Lin, Yu Auburn Univ 82799 m206 30,000 1,000 Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Magnetic Reconnection in Harris Current Sheet Lin, Zhihong UC Irvine 82953 m808 1,750,000 100,000 SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulenc and Transport Liu, Da-Jiang Ames Lab 83135 m812 100,000 1,000 Analysis of energetics and kinetics of processes on metal surfaces (single- component crystals and multicomponent alloys) Liu, Feng U. Utah 83067 m284 150,000 1,000 Tuning of Band Gap and Charge Carrier Mobility by Strain Engineering and Mechanical Modification of Organic Semi-Conducting Molecules Liu, Feng U. Utah 83172 m850 300,000 1,000 Quantum Modulation of Surface Mass Transport and Controlled Growth of Nanoscale Metal Thin Films Liu, Keh-Fei U. Kentucky 82779 mp7 1,400,000 2,000,000 Lattice QCD Monte Carlo Calculation of Hadron Structure and Spectroscopy Liu, Ping Brookhaven 82739 m848 400,000 500 Computational studies of Lab supported nanoparticles in heterogeneous catalysis Loken, Stewart Berkeley Lab 82822 atlas 40,000 Simulation of ATLAS Physics Loken, Stewart Berkeley Lab 82823 atlasdc 50,000 ATLAS Data Challenges Long, Charles PNNL 82763 m726 80,000 100,000 Simulating the tropical cloud-climate interactions during the TWPICE experiment with the WRF model Louie, Steven Berkeley Lab 82731 mp149 400,000 20,000 Computation of Electronic Properties of Materials from First Principles Loveland, Walter Oregon State 82774 m136 15,000 200,000 Theoretical predictions for superheavy elements (SHE) using Relativistic Coupled-Cluster method Luk, Kam-Biu Berkeley Lab 82855 dayabay 1,000,000 Daya Bay Reactor Neutrino Experiment
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Ma, Chung-Pei UC Berkeley 83056 m289 25,000 2,000 Evolution of Massive Galaxies and Black Holes Makino, Kyoko Michigan 83167 m509 385,000 50,000 Modern Map Methods in State Particle Beam Physics Manovich, Lev UC San Diego 83208 m860 250,000 90,000 Visualizing Patterns in Databases of Cultural Images and Video Manson, Steven Georgia State 82818 m497 10,000 2,000 Inner and Outer Shell Photoabsorption by Positive and Negative Ions and Neutral Atoms Marques, Osni Berkeley Lab 83000 m340 10,000 1,000 Installation, Testing and Evaluation of ACTS Tools Mascarenhas, Angelo NREL 82976 mp306 20,000 5,000 Electronic structure of non-conventional semiconductor alloys and nanostructures Masunov, Artem U. Central 82937 m513 75,000 1,000 Design of nonlinear Florida optical materials with enhanced two- and three- photon absorbing properties Mavrikakis, Manos U. Wisc. 82991 mp351 1,200,000 1,000 First-Principles Catalyst Madison Design for Environmentally Benign Energy Production McAdams, Harley Stanford Univ 83218 m926 S 15,000 1,000 Computational Prediction of Transcription Factor Binding Sites McAdams, Harley Stanford Univ 83219 m927 S 15,000 1,000 Identification of novel RNA transcripts and their expression profiles using custom-tiled Affymetrix microarrays McCurdy, C. William Berkeley Lab 83086 mp74 100,000 2,000 Electron and Photon Collisions with atoms and molecules Mei, Donghai PNNL 82905 m752 700,000 1,000 Computational Studies on the Reactivity, Reaction Mechanism and Kinetics of Catalytic Systems Mei, Donghai PNNL 82929 m761 30,000 500 First principles based modeling of substrate effect on reactivity of supported transition metal oxide catalysts Menon, Surabi Berkeley Lab 83050 m464 30,000 1,000 Cloud Physics Parameterizations for arctic stratus and convective cloud systems Mezzacappa, Anthony Oak Ridge 83186 m764 1,950,000 185,000 Multidimensional Simulations of Core Collapse Supernovae Mikkelsen, David PPPL 82792 m64 500,000 10,000 Experimental Tests of Gyrokinetic Simulations of Microturbulence Militzer, Burkhard UC Berkeley 83174 m744 200,000 500 First-principles simulation of dense, water, oxygen, and hydrogen at high pressure Miller, Doug UNC Asheville 83060 m550 20,000 20,000 Forecasting Coupled Meteorology and Air Quality at Very High Resolutions, Phase 3: Direct and Indirect Effects of Aerosols in Western North Carolina Miller, Thomas Cal Tech 83128 m822 50,000 40,000 Sampling diffusive dynamics on long timescales, and simulating the coupled dynamics of electrons and nuclei Miller, William UC Berkeley 83082 mp14 160,000 500 Semiclassical approaches for condensed matter dynamics and for molecular reaction dynamics Mori, Warren UCLA 82912 mp113 385,000 60,000 continuing studies of plasma based accelerators Mori, Warren UCLA 83147 m412 150,000 25,000 Investigations of fast ignition physics and extreme states of matter Mori, Warren UCLA 83217 incite14 I 4,600,000 50,000 Petascale Particle-in-Cell Simulations of Plasma Based Accelerators Morris, James Oak Ridge 82880 m435 40,000 2,000 Atomistic modeling of novel alloy behavior Msezane, Alfred Clark Atlanta 83199 m911 S 15,000 1,000 Electron/Photon Univ Interactions with Atoms/Ions Muckerman, James Brookhaven 83055 m783 500,000 1,000 Computational Studies at Lab BNL of the Chemistry of Energy Production and Use Muggli, Patric U. South 82935 mp275 15,000 1,000 Program for Plasma-Based California Concepts for Future High- Energy Accelerators Mundy, Christopher PNNL 82841 m452 1,000,000 5,000 Novel density functional theory approaches to the statistical mechanics of hydrogen bonded systems
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Najm, Habib Sandia Lab CA 82944 m401 50,000 1,000 A Computational Facility for Reacting Flow Science Najm, Habib Sandia Lab CA 83148 m914 50,000 1,000 Computations of Reacting Flow with Detailed Kinetics Neaton, Jeffrey Berkeley Lab 82846 m387 700,000 50,000 Theory of nanostructured materials Negele, John MIT 82830 mp133 500,000 175,000 Exploration of Hadron Structure using Lattice QCD Nelson, Brian U. Washington 82866 m489 250,000 5,000 The Plasma Science and Innovation Center Nelson, Brian U. Washington 83072 m172 75,000 1,000 Helicity Injected Torus Current Drive and Compact Toroid Studies Nemeth, Karoly Argonne 83011 m634 1,880,000 90,000 Parallel Computation for Laser Plasma Interactions at Relativistic Intensities Newman, Gregory Berkeley Lab 82863 m372 1,500,000 1,000 Large Scale 3D Geophsycial Inversion & Imaging Ng, Cheuk-Yiu UC Davis 82766 m319 20,000 500 State-of-the-Art ab initio Calculations of Energetics and Spectroscopic Properties of Molecular Neutrals/Cations/Radicals for Comparison with Highly Accurate Experimental Measurements Ng, Esmond Berkeley Lab 82992 mp127 100,000 3,000 High Performance Sparse Matrix Algorithms Nolen, Jerry Argonne 83111 mp362 515,000 150,000 Radioactive Beam Facilities - Target, Shielding, Fragment Separators and Accelerator Studies Notaro, Michael U. Wisc. 82828 m731 200,000 120,000 Ecosystem response to Madison future climate change and the impact of vegetation feedback in the Southwest United States Nozik, Arthur NREL 82771 m72 50,000 1,000 Experimental and Theoretical Studies of Semiconductor Systems for Improved Solar Energy Technologies Nugent, Peter Berkeley Lab 82978 m779 20,000 600,000 Baryon Oscillation Spectroscopic Survey
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Odyniec, Grazyna Berkeley Lab 82856 gc5 ppdg 5,000,000 STAR Detector Simulations rhstar and Data Analysis Oefelein, Joseph Sandia Lab CA 83041 m295 2,500,000 6,000 Large Eddy Simulation of Turbulence-Chemistry Interactions in Reacting Multiphase Flows Ogut, Serdar U. Illinois 82870 m567 60,000 10,000 Electronic and optical Chicago properties of transition metal clusters and organic dyes Oliker, Leonid Berkeley Lab 82881 m650 50,000 10,000 Scientific Application Performance on Candidate PetaScale Platforms Orginos, Konstantinos (Ko William & 82930 m762 1,400,000 50,000 Electromagnetic properties Mary of resonances.
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Parvin, Bahram Berkeley Lab 83073 m823 S 1,000 600,000 Mechanism of DNA Damage and Repair Nuclear Imaging of Gene Expression Patton, Edward NCAR 83168 m917 600,000 100,000 Impact of vegetation on turbulence over complex terrain: a wind energy perspective Penner, Joyce U. Michigan 82956 mp231 42,000 67,000 Three-dimensional Global Atmospheric Aerosol and Chemistry Modeling Pennycook, Stephen Oak Ridge 83117 mp221 200,000 5,000 Numerical Simulations of Interfaces, Grain Boundaries, and Nanocrystals Perlmutter, Saul Berkeley Lab 83095 deepsrch 400,000 Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Perlmutter, Saul Berkeley Lab 83169 m219 250,000 170,000 SNAP Simulation and snap Analysis Peter, William Johns Hopkins 83226 m933 S 15,000 500 Computational Performance Univ of a Massively Parallel 3- D Finite Difference Code for Acoustic/Elastic Wave Modeling Phillips, Carolyn U. Michigan 83200 m857 S 15,000 1,000 Impact of polydispersity on the phase diagram of the tethered nanoparticle system Pieper, Steven Argonne 82865 mp26 187,000 10,000 Exact Calculations of Light Nuclei, Nucleonic Matter and Electroweak Interactions Using Realistic Interactions Pindzola, Michael Auburn Univ 82713 m41 1,500,000 20,000 Computational Atomic Physics for Fusion Energy Plewa, Tomasz Florida State 83151 m461 350,000 400,000 Thermonuclear Supernovae: Stellar Explosions in Three Dimensions Poppitz, Erich U. Toronto 83225 m858 S 15,000 500 Lattice Chiral Gauge Canada Theory and Decoupling of Mirror Fermions Pordes, Ruth Fermilab 82948 m670 osg 125,000 100,000 Extending the Open Science Grid Pothen, Alex Purdue Univ 83002 m872 50,000 5,000 CSCAPES Institute: Parallel Graph Matching Algorithms Pratt, Larry Fisk Univ 83227 m936 150,000 500 Computational Studies of Lithium Carbenoid Reaction Mechanisms and Structure, Bonding, and Reactivity of Other Organolithium Compounds in CPME Primack, Joel UC Santa Cruz 83080 mp363 85,000 180,000 Galaxy Formation Simulations Prinz, Fritz Stanford Univ 83121 m622 200,000 500 Investigating quantum dots for high efficiency fourth generation photovoltaic Pritchett, Philip UCLA 82759 mp28 50,000 50,000 Fusion Plasma Modeling Using 3-D Particle-In-Cell Simulations at UCLA Pu, Han Rice Univ 82902 m918 S 15,000 500 Phase diagram for polarized ultra-cold fermi gases in higly elongated harmonic traps
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Qiang, Ji Berkeley Lab 83216 incite18 I 800,000 10,000 Beam Delivery System Optimization for X-Ray Free Electron Lasers
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Rajopadhye, Sanjay Colorado 83084 m853 S 10,000 500 Introduction to Parallel State Processing (Education) Ram, Abhay MIT 83124 m224 200,000 6,000 Computational studies in plasma physics and fusion energy Randall, David Colorado 83153 m328 2,000,000 30,000 Global cloud modeling State Rashkeev, Sergey Idaho 82749 m647 50,000 1,000 Numerical Simulations of National Lab Defects and Chemical Reactions at Surfaces and Interfaces Rauchwerger, Lawrence Texas A&M 82968 m493 10,000 500 SmartApps: Middle-ware for Univ Adaptive Applications on Reconfigurable Platforms Ray, Asok U. Texas 83103 m701 150,000 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 82889 m337 50,000 10,000 Many body Calculations in Nanomaterials, Small Molecules and Model Systems Rehr, John U. Washington 83090 mp313 25,000 1,000 High Performance Computation of Photon Spectroscopies and Electronic Excited States Reichler, Thomas U. Utah 83070 m730 5,000 100,000 Dynamics and Variability of the Coupled Stratosphere-Troposphere System Ren, Chuang U. Rochester 83005 m792 60,000 1,000 Study of laser-plasma interactions relevant to direct-drive ICF implosions Ren, Chuang U. Rochester 83134 incite15 I 1,000,000 40,000 Three-Dimensional Particle-in-Cell Simulations of Fast Ignition Richards, Mark UC Berkeley 83201 m880 S 15,000 1,000 Mantle Convection with Strong Viscosity Variations using Citcom Rinke, Patrick UC Santa 82744 m856 S 15,000 2,000 First principles Barbara characterization of materials for photovoltaics and energy efficient lighting Rogers, Barrett Dartmouth 82883 m841 200,000 3,000 Gyrokinetic Simulations of College Fusion Plasmas Rollett, Tony Carnegie 82836 mp262 100,000 3,000 Microstructural Evolution Mellon Based on Fundamental Interfacial Properties: a DOE sponsored Computational Materials Science Network Romanowicz, Barbara UC Berkeley 82901 m554 200,000 1,000 Calibration of 3D Upper Mantle Structure in Eurasia Using Regional and Teleseismic Full Waveform Seismic Data Rosner, Robert U. Chicago 83202 m869 S 15,000 1,000 Parameter Studies of Rayleigh-Taylor Unstable, Boussinesq Flames using NEK5000 Rossi, Angelo City College 83203 m886 S 15,000 1,000 Excited States of Organic NY Molecules in Solution Rubin, Edward JGI 82969 m342 10,000 2,000,000 Optimizing Genomic Data Storage for Wide Accessibility Ryne, Robert Berkeley Lab 82977 m669 130,000 10,000 Frontiers in Accelerator Design: Advanced Modeling for Next-Generation BES Accelerators
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Saad, Yousef U. Minnesota 83189 m684 50,000 10,000 Pseudopotential Algorithm for Real Space Electronic Calculations Sallerson, Amber UNC Chapel 83204 m845 S 15,000 1,000 Simulating Multiphase Hill Transport Phenomena in Porous Medium Systems Saravanan, Ramalingam Texas A&M 82867 m788 50,000 20,000 High-resolution Coupled Univ Regional Climate Modeling in the Atlantic Savage, Martin U. Washington 82922 m747 5,400,000 225,000 Hadron-Hadron Interactions with Lattice QCD Saykally, Richard UC Berkeley 82847 m696 1,000,000 50,000 X-ray Absorption Spectra of Aqueous Solutions from First Principles Calculations Schaefer, Henry U. Georgia 82890 m170 120,000 500 Computations of Properties to Chemical Accuracy Scheibe, Timothy PNNL 82891 m749 700,000 20,000 Hybrid Numerical Methods for Multiscale Simulations of Subsurface Biogeochemical Processes Schiavilla, Rocco Jefferson Lab 82894 m69 12,000 1,000 Electroweak Structure of Light Nuclei Schnetter, Erik Louisiana 83019 m152 175,000 19,000 Physics of Binary Black State Hole Mergers Schuchardt, Karen PNNL 82721 m873 750,000 155,000 Development and Test of an IO API for the Global Cloud Resolving Model Schultz, David Oak Ridge 82715 mp48 200,000 3,000 Theoretical Atomic Physics for Fusion Energy Selloni, Annabella Princeton 82885 m836 100,000 500 Theoretical Research Univ Program on Bio-inspired Inorganic Hydrogen Generating Catalyst and Electrodes Shalf, John NERSC 82843 m888 50,000 1,000 Science Driven System Architecture: Benchmarking and Autotuner Development Shang, Shunli Penn State 83062 m679 40,000 20,000 First-principles investigations of phonon and mechanical properties of Ni-based alloys Shapiro, Marjorie Berkeley Lab 83078 cdf 30,000 Physics Analysis of CDF fermi (Collider Detector at Fermilab) Data Shay, Michael U. Delaware 83031 m733 75,000 12,000 Kinetic Physics of Magnetic Reconnection Shigemitsu, Junko Ohio State 82827 mp268 60,000 100,000 Heavy-Light Physics with NRQCD Heavy and Improved Staggered Light Quarks Simon, Horst Berkeley Lab 82886 mphpcrd 5,000 1,700,000 CRD High Performance Computing Research Department Guest Accounts Sinclair, Donald Argonne 82764 mp27 6,550,000 80,000 Lattice Gauge Theory Simulations Smith, Jeremy Oak Ridge 83065 m906 1,500,000 100,000 Molecular Dynamics Simulations in Bioenergy, Bioremediation and Protein Dynamics. Smoot, George Berkeley Lab 82998 astrogfs 9,000 Large Astrophysical Data Sets: Data analysis and simulation of astro- physical neutrinos, dark matter and dark energy in AMANDA, IceCube and SNAP Snurr, Randall Northwestern 82740 m538 40,000 500 Modeling Metal-Organic Frameworks for Hydrogen Storage, Separations, and Catalysis Sosonkina, Masha Ames Lab 82805 m419 25,000 1,000 Interoperable software for modern high-performance applications Souza, Ivo UC Berkeley 82940 m755 25,000 500 Magnetic and optical properties of solid and liquid metals from first- principles Sovinec, Carl U. Wisc. 82738 mp200 400,000 12,000 Fluid and Hybrid Modeling Madison of Electromagnetic Activity in MFE Plasmas Spentzouris, Panagiotis Fermilab 83028 m778 780,000 30,000 Community Petascale Project for Accelerator Science and Simulation Spera, Frank UC Santa 82783 m178 80,000 6,000 Large-Scale Molecular Barbara Dynamics of Geomaterials: The Glass Transition, Nanoscale Structure and effects of Water on Molten Silicate Properties at High-Pressure, and Applications to Earth and Planets Spong, Don Oak Ridge 82793 mp202 90,000 9,000 Plasma Confinement, Stability, Heating and Optimization in Stellarators and Tokamaks Sposito, Garrison Berkeley Lab 82751 mp47 200,000 20,000 Clay Mineral Surface Geochemistry Sprangle, Phillip Naval 83027 mp343 200,000 500 High Energy Laser-Driven Research Lab Acceleration Based on the Laser Wakefield Accelerator Stocks, G. Malcolm Oak Ridge 82800 m641 1,700,000 15,000 Computational Materials Theory Striolo, Alberto U. Oklahoma 82892 m530 200,000 500 Aqueous Electrolyte Solutions at Solid-Fluid Interfaces Striolo, Alberto U. Oklahoma 82893 m751 50,000 500 Intelligent Simulation- Assisted Catalyst Design Striolo, Alberto U. Oklahoma 82950 m894 100,000 500 Enhancing the heat- transfer properties of working fluids via the intercalation of graphene sheets Strohmaier, Erich Berkeley Lab 82939 m283 100,000 1,000 Performance Characterization and Benchmarking of HPC Systems
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Tainer, John Berkeley Lab 83021 m870 S 15,000 500 Solution structure modeling for small angle X-ray scattering Tang, Xianzhu Los Alamos 83143 m139 75,000 1,000 Nonlinearly implicit MHD Lab and two-fluids simulation of fusion plasmas Tang, Xianzhu Los Alamos 83145 mp204 100,000 2,000 nonlinear studies of Lab magnetically confined plasmas Thakur, Bhupender U. Delaware 83107 m915 150,000 500 DMRG approach for large scale nuclear structure calculations. Thirumalai, Dave U. Maryland 83171 m704 100,000 500 Understanding function of biological nanomachines Tillett, Jason U. Rochester 82784 m799 50,000 500 Large Scale Bio-acoustic Propagation Simulator Tokmakian, Robin Naval PS 83035 m528 60,000 3,000 Decadal to century coupled ocean/ice simulations at high resolution (0.20) Toussaint, Doug U. Arizona 82794 mp13 10,090,00 50,000 Quantum Chromodynamics with three flavors of dynamical quarks Tysinger, Thomas Ansys, Inc. 83053 m904 500,000 35,000 Tuning an Industrial CAE Code for Scaling on 1000s of Processor Cores Tyson, Trevor New Jersey IT 83162 m805 50,000 10,000 Constrained Structural Optimization of Complex Metal Oxides
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Vahala, George William & 82925 mp32 350,000 160,000 Lattice Boltzmann Mary Simulations for Plasmas Van de Walle, Chris UC Santa 83190 m892 200,000 5,000 Computational Studies of Barbara Hydrogen Interactions with Storage Materials Vary, James Iowa State 82955 m94 1,000,000 100,000 Structure and Reactions of Hadrons and Nuclei; Non- perturbative Solutions of Strongly Interacting Particles and Fields Verdier, Francesca NERSC 83047 noexp 10,000 700,000 NERSC overhead account for norepo users with no active repo Vertes, Akos George Wash 83221 m928 S 15,000 1,000 Molecular Dynamics of Soft Univ Ionization Methods and Osmosensors Vladimirova, Natalia U. Chicago 82872 m867 S 15,000 2,000 Rayleigh-Taylor (RT) unstable flames: adapting Nek5000 code for fundamental studies of reactive turbulence in RT-unstable flames.
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Waltz, Ronald General 82760 mp94 300,000 50,000 Simulation of Magnetically Atomics Confined Fusion Plasmas Wang, Cai-Zhuang Ames Lab 82959 m769 100,000 1,000 Ab initio molecular dynamics simulation of metallic liquid and glass Wang, Haobin New Mexico 82753 m93 800,000 500 Quantum Dynamical Study of State Charge and Energy Tranfer Processes in the Condensed Phase Wang, Jun U. Central 82787 m827 50,000 500 A Lightweight, High- Florida performance I/O Management Package for Data-intensive Computing Wang, Lin-Wang Berkeley Lab 82837 mp304 900,000 200,000 Large scale nanostructure electronic structure calculations Ware, Andrew U. Montana 82840 mp205 25,000 2,000 Theory of Turbulent Heat and Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators Washington, Warren NCAR 83014 mp9 12,000,00 2,000,000 Climate Change Simulations with CCSM: Moderate and High Resolution Studies Weber, William PNNL 82915 mp148 50,000 1,000 Defects, Defect Processes, and Ion-Solid Interactions in Ceramics Wei, Suhuai NREL 82770 mp252 500,000 2,000 Doping bottleneck, van der Waals interaction, and novel ordered alloy Weinert, Michael U. Wisc. 83066 mp330 100,000 1,000 Electronic Structure of Milwaukee Alloys, Surfaces, and Nanostructures Weitzner, Harold New York Univ 82789 mp338 50,000 1,000 Advanced Toroidal Theory and Computation Wen, Zhaofang Sandia Lab NM 83173 m407 15,000 500 BEC library for Unified Parallel C Werthimer, Dan UC Berkeley 82857 seti S 1,000 1,800,000 Berkeley High Resolution Neutral Hydrogen Sky Survey Whangbo, Myung North 83220 m929 75,000 500 Band Electronic Structures Carolina and Crystal Packing Forces State White, Martin UC Berkeley 82737 m68 60,000 75,000 Constraining dark energy with clusters of galaxies Whiteson, Daniel UC Irvine 83178 atlasuci 5,000 ATLAS Simulation at UC Irvine Wilkins, John Ohio State 82729 mp160 3,000,000 1,000 Modeling Dynamically and Spatially Complex Materials Wirth, Brian UC Berkeley 83160 m916 75,000 20,000 Ab-initio modeling of the energetics and structure of nanoscale Y-Ti-O cluster precipitates in ferritic alloys Woodruff, Simon Woodruff 82750 m633 40,000 20,000 Simulations of the Scientific Formation, Compression and LLC Merging of Compact Tori Woosley, Stan UC Santa Cruz 82707 m106 1,550,000 90,000 Computational Astrophysics Consortium Wu, Jianzhong UC Riverside 82716 m618 200,000 5,000 Atomic density functional theory for crystal nucleation and growth Wu, Meng-Shiou Ames Lab 82958 m664 25,000 5,000 Computational Quality of Service for Chemistry Software Wu, Ruqian UC Irvine 82946 mp244 400,000 1,000 First Principles Investigations and Simulations for Catalytic Properties of Metal/Oxide Surfaces Wu, Ruqian UC Irvine 82947 m532 200,000 1,000 First Principles Exploration for the Origin of Ferromagnetism in Diluted Magnetic Semiconductors Wuebbles, Donald U. Illinois 82994 mp79 200,000 500,000 Parallel modeling of U-C climate, chemistry, and physics affecting the global atmosphere
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Xiang, Nong U. Colorado 82788 m863 50,000 20,000 Simulations of electron Boulder Bernstein waves in a three-dimensional geometry
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Yan, Yanfa NREL 82895 m721 100,000 1,000 Theory of metal oxides for potential applications of PEC water spliting Yang, Chao Berkeley Lab 83097 m653 50,000 1,000 Three-dimension Image Reconstruction of Macromolecular Assemblies from Cryo-EM Data Yelick, Katherine Berkeley Lab 82718 mpnersc 20,000 5,000 NERSC Division Guest Accounts Yelick, Katherine Berkeley Lab 83170 mp215 20,000 3,000 UPC, CAF and Titanium Yu, Hua-Gen Brookhaven 82795 m881 50,000 3,000 High dimensional quantum Lab dynamics studies of molecular spectroscopy Yunn, Byung Jefferson Lab 83118 m216 77,000 500 Accelerator Physics Studies of Applications of Superconducting Linacs
Principal Site Request Repo MPP HPSS Project Title Investigator Id Hours SRUs
Zapol, Peter Argonne 83158 m441 20,000 1,000 Soft/hard interfaces in nanomaterials Zapol, Peter Argonne 83159 m548 15,000 500 Computational studies of Electrocatalysis for Low Temperature Fuel Cell Cathodes Zhang, Bin Arkansas 82861 m688 30,000 2,000 Dynamics of Relativistic State Heavy Ion Collisions Zhang, Guoping Indiana St U 82772 m713 1,000,000 3,000 Ultrafast magnetization in ferromagnets Zhang, Zhenyu Oak Ridge 82974 m781 200,000 1,000 First principles studies of optimal dopant control via n-p copdoing Zhang, Zhenyu Oak Ridge 83025 m108 300,000 1,000 First principles studies of hydrogen storage on light element based nanostructures and quantum metal alloys. Zheng, Linjin U. Texas 82981 mp77 50,000 3,000 Comprehensive modeling and Austin transport studies at the Institute for Fusion Studies Zhu, Ping U. Wisc. 82826 m572 75,000 15,000 MHD Modeling of Nonlinear Madison Ballooning Instabilities in Fusion and Space Plasmas Zunger, Alex NREL 82980 m346 1,000,000 2,000 Predicting the electronic Properties of 3D, Milion- Atom Semiconductor Nanostructure Architectures Zunger, Alex NREL 83017 mp70 1,000,000 1,000 Computational Semiconductor Physics Zunger, Alex NREL 83119 m790 100,000 1,000 Computational modeling and design of new materials for photovoltaics Zyla, Piotr Berkeley Lab 83125 pdg 14,000 Particle Data Group Zyla, Piotr Berkeley Lab 83140 e871 225,000 HyperCP (FNAL E871)
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