1999
Annual Report
Table of Contents Year in Review Science Highlights  

1999 Annual Report  
Director's
Perspective
Year in Review
Computational Science
Shared Memories:
Reflections on
NERSC's 25th
Anniversary
Researchers Solve a Fundamental Problem of Quantum Physics
User Satisfaction Continues to Grow
New Computing
Technologies
NERSC-3 Procurement Team Recognized for
Successful Effort
Oakland Scientific Facility Under Construction
Towards a DOE
Science Grid
----------------
Grand Challenge Retrospective
----------------
Science Highlights
Basic Energy Sciences
Biological and Environmental Research
Fusion Energy Sciences
High Energy and Nuclear Physics
Advanced Scientific Computing Research and Other Projects

NERSC aspires to be a world leader in accelerating scientific discovery through computation. Our vision is to provide high-performance computing tools to tackle science's biggest and most challenging problems, and to play a major role in advancing large-scale computational science and computing technology. The result will be a rate of scientific progress previously unknown.

NERSC's mission is to accelerate the pace of scientific discovery in the Department of Energy Office of Science (SC) community by providing high-performance computing, information, and communications services. NERSC has a threefold strategy for increasing researchers' productivity:

  • Providing leading-edge platforms and services that make NERSC the foremost resource for large-scale computation within DOE.
  • Introducing the best new computer science tools to SC researchers.
  • Providing intellectual services (for example, development of innovative algorithms, simulations, and visualization techniques) that make these complicated technologies useful for computational science.


Table of Contents

DIRECTOR'S PERSPECTIVE

YEAR IN REVIEW

Computational Science
  Research by NERSC Clients
    Advanced Scientific Computing Research
    Basic Energy Sciences
    Biological and Environmental Research
    Fusion Energy Sciences
    High Energy and Nuclear Physics
  Research by NERSC Staff
    Climate Modeling
    Combustion Modeling
    Earth Sciences
    Materials Science
  New Peer Review Process
  Shared Memories: Reflections on NERSC's 25th Anniversary
  Researchers Solve a Fundamental Problem of Quantum Physics
  User Satisfaction Continues to Grow

New Computing Technologies
  Optimizing the Productivity of New Architectures
    Phase I IBM SP System
    Effective System Performance Benchmark
    T3E Utilization Tops 90%
    PC Cluster Project
    Alternative Architectures
  The Petabyte Data Challenge
    Mass Storage
    Data Management
  Preparing for the Computational Grid
  NERSC-3 Procurement Team Recognized for Successful Effort
  Oakland Scientific Facility Under Construction
  Towards a DOE Science Grid

GRAND CHALLENGE RETROSPECTIVE

SCIENCE HIGHLIGHTS

Basic Energy Sciences
Atomic and Electronic Structure of Ceramic/Metal Interfaces
Molecular-Based Simulation of Complex Fluids
Benchmarking Computational Chemistry Methods for Combustion and Process Modeling Needs
Photonic Band Gap Materials
Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides
Electronic Structure and Simulation Calculations of Reactive Chemical Systems
Particulate Dynamics in Filtration and Granular Flow
Quantum and Classical Simulations of Clusters, Nanostructural Manipulations, and Nanotribology
Quantum Monte Carlo for Electronic Structure of Combustion Systems
Materials, Methods, Microstructure, and Magnetism
Semiclassical Initial Value Representation Methods for Reaction Dynamics
Advanced Computation for Geophysical Inverse Problems
Chemical Scaling Studies in Combustion
Application of Electronic Structure Methods to Large Semiconductor Quantum Nanostructures

Biological and Environmental Research
Modeling 3D Decaying Turbulence on the Sphere with SEAM
Computer Simulation of Enzyme Reactions
Modeling of Scintillation Produced by Ionizing Radiation in Inorganic Crystals
High-Resolution Sensitivity Studies of Southern Ocean Eddies Using Two Ocean Models
Protein Dynamics and Enzyme Function
Recognition and Classification of Protein Folds in Complete Genomes
Coupled Parallel Climate Model (PCM) Applications to Climate Change
Prediction for the IPCC and the National Assessment

Three-Dimensional Global Atmospheric Chemistry Modeling
PCMDI: Coupled Atmosphere-Ocean Modeling

Fusion Energy Sciences
Numerical Tokamak Turbulence Project
Numerical Study of Global Stability of Field-Reversed Configurations
Turbulent and MHD Behavior of Free Liquid Jets and Films and Magnetically Confined Plasmas
Microstructure Evolution in Irradiated Materials
Modeling of Intense Beams for Heavy-Ion Fusion
Large-Scale Gyrokinetic Simulation of Electromagnetic Plasma Turbulence
NIMROD Code Development
Theoretical Calculations of Plasma Turbulence, RF Heating, and Stellarator Physics
Lattice Boltzmann Simulations for Divertor Physics and Turbulence

High Energy and Nuclear Physics
Monte Carlo Methods for Nuclear Structure
Quantum Monte Carlo for Nuclei and Nuclear/Neutron Matter
Continuing Studies of Plasma Beat Wave Accelerators
Weak Matrix Elements from Lattice QCD
Cosmic Microwave Background Data Analysis-The BOOMERANG Long Duration Balloon Flight
STAR Detector Simulations and Data Analysis
Computational Accelerator Physics Grand Challenge
Optimal Photometric Reduction of Supernova Images for Cosmological Measurements
Domain-Wall Quarks at Finite Temperature
Weak Matrix Elements with Domain Wall Quarks
QCD Simulations with Improved Staggered Quarks

Advanced Scientific Computing Research and Other Projects
Numerical Simulation of Turbulent Reacting Flows
Linear Algebra Algorithms on High Performance Computers
Carbon-Climate Interactions
A Numerical Study of Acceleration-Driven Fluid Interface Instabilities
Quantum Monte Carlo Simulations of Strongly Correlated Electron Systems in Reduced Dimensions
Global Optimization Approaches to Protein Fold Refinement and Tertiary Structure Prediction
Electron-Atom and Electron-Molecule Collision Processes
Regional Scale Climate Variability and Impact Assessment for the Western United States
Sparse Linear Algebra Algorithms and Applications for MPPs


APPENDIX A: NERSC Policy Board
APPENDIX B: NERSC Program Advisory Committee
APPENDIX C: NERSC Users Group Executive Committee
APPENDIX D: Scientific Computing Applications Council
APPENDIX E: Office of Advanced Scientific Computing Research


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