CONTENTS

• Computational Science
• Grand Challenge Breakthroughs
• Advanced Scientific Computing Research
• NERSC Staff, Researchers Win Top Computing Awards
• Basic Energy Sciences
• NERSC Plays Key Role in Science Magazine's "Breakthrough of the Year"
• Biological and Environmental Research
• Parallel Processing Allows Faster, More Detailed Climate Modeling
• Fusion Energy Sciences
• High Energy and Nuclear Physics
• Computer Science and Applied Mathematics
• Center for Bioinformatics and Computational Genomics
• Storage Management for Massive Datasets
• The China Clipper Project: Data-Intensive Computing in Widely Distributed Environments
• Combustion Modeling
• Climate Modeling
• Parallel Library for Algorithm Development
• ACTS Toolkit Support
• PC Clusters
• Systems and Services
• Massively Parallel Systems
• Parallel Vector Systems
• Storage Systems
• HENP Support
• Specialized Servers
• NERSC-3 Procurement
• Advanced Systems Group
• User Survey Results

SCIENCE HIGHLIGHTS

• Grand Challenge Projects
• Protein Dynamics and Biocatalysis
• Numerical Tokamak Turbulence Project
• Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides
• Simulating Ultra-Relativistic Heavy-Ion Collisions for the STAR Experiment at RHIC
• Particle Physics Phenomenology from Lattice QCD
• High-Throughput Analysis Engine for Large-Scale Genome Annotation
• Computational Accelerator Physics: Advanced Modeling for Next-Generation Accelerator Applications
• Materials, Methods, Microstructure, and Magnetism
• Basic Energy Sciences
• Density Functional Theory Calculations of Ion Pair Association in Aprotic Electrolytes
• Numerical Treatment of Lepton Pair Production in Relativistic Heavy Ion Collisions
• Electronic Structure of a Polar Ceramic/Metal Interface: {222} MgO/Cu
• Determining Macroscopic Mechanical Properties from Microscopic Calculations
• PRISM-Piece-Wise Reusable Implementation of Solution Mapping
• Electronic Structure Studies of Pyrolytic Reactions of Hydrocarbons
• Molecular-Based Simulation of Complex Fluids
• Modeling of Thin-Film Diamond Growth
• Fundamental Studies of Metastable Liquids
• Theoretical Studies of Atomic Transitions
• Nonequilibrium Processing of Materials Using Beams of Particles and Clusters
• Photonic Band Gap Structures
• Direct Numerical Simulation of Liquid-Solid Flow
• Modeling of Microstructural Pattern Formation in Directional Solidification
• Parallel Quantum Monte Carlo for Molecules
• Finite-Element Ray-Tracing Tomography
• Kinetics of Elementary Processes Relevant to Incipient Soot Formation
• Computation of Materials Properties from First Principles
• Experimental and Theoretical Studies of Electron Transfer Dynamics at Semiconductor-Liquid Interfaces
• Molecular Simulations of Clay Mineral Surface Geochemistry
• Equation of State and Activity Coefficient Models for Improved Engineering Practice
• Numerical Modeling of Turbulent Combustion
• Correlated Motion in Atomic Many-Body Systems
• Material Science Theory and Computation for Advanced Light Source Experiments
• Empirical Pseudopotential Calculation of Self-Assembled Quantum Dots
• Electronic Structure of Alloys and Surfaces
• Simulation of Atomic-Level Defects in Ceramics
• New 3D Parallel GILD EM Modeling and Inversion
• Biological and Environmental Research
• Investigating Impacts on Tropospheric Ozone Using a Tropospheric/Stratospheric Model
• Predictability of the Coupled Ocean/Atmosphere System
• Modular Ocean Model Code Developments
• Protein Fold Prediction in the Context of Fine-Grained Classifications
• Major Improvements in the Simulation of Tropical Stratospheric Winds
• A Global Optimization Strategy for Predicting Protein Structure
• Simulated Replication of Carcinogen-Damaged DNA
• AMIP-II Reanalysis-Global Atmospheric Analyses for 1979-1997
• Seasonal Hydroclimate Predictions for the Western United States
• Theoretical Calculation of Water Vapor Continuum Absorption
• Unfolding Pathway for a Beta Hairpin Fragment of Protein G
• Nonlinear Stratified Flows: High-Resolution Simulation of Breaking Gravity Waves in the Earth's Atmosphere
• Cloud Albedo Perturbations on Climate
• Coupled Parallel Climate Model (PCM) Applications to Climate Change
• Biomolecular Structure Analysis by Nuclear Magnetic Resonance
• Fusion Energy Sciences
• TRIM Simulation of Plasma Merging and Magnetic Reconnection on the Swarthmore Spheromak Experiment
• Major Computational Applications in Magnetic Fusion
• High-Current Beam Studies for Heavy-Ion Fusion
• Transport Barrier Dynamics
• Stellarator Optimization
• Gyrokinetic Simulations of Collisional and Turbulent Transport in Fusion Plasmas
• Design of Optimized Three-Dimensional Magnetic Fusion Confinement Geometries
• Three-Dimensional Magnetohydrodynamics Studies of Tokamak Fueling
• High Energy and Nuclear Physics
• Analysis of Data from Experiment E895 at the Alternating Gradient Synchrotron
• Semilocal String Formation
• Three-Body Bound State Calculations Without Angular Momentum Decomposition
• Topics in Nonequilibrium Field Theory
• Quantum Chromodynamic Quark Model Analysis of Hadron Elastic and Transition Form Factors
• Computational Nuclear Theory
• Transport Studies of Space-Charge Dominated Beams
• Applications of Lattice QCD to Thermodynamics of Hadronic Matter and Properties of Hadrons
• Cosmic Microwave Background Data Analysis
• Weak Matrix Elements with Domain Wall Quarks
• Testing Improved Actions for Kogut-Susskind Quarks
• Advanced Scientific Computing Research and Other Projects
• Parallel Multigrid Solver for Unstructured Finite Element Method Meshes in Solid Mechanics
• Direct Numerical Solution of the Continuum Three-Body Coulomb Problem
• Adaptive Mesh Refinement in Complex Geometries
• A Numerical Study of Acceleration-Driven Fluid Interface Instabilities
• Endogenous Technological Change in Modeling the Global Energy System
• Correlated Wave-Functions and Long-Range Order in Lattice Models of Strongly Interacting Electrons
• MPP Calculations of Metastability in Materials Science and Stochastic Parallelization
• Nonperturbative Numerical Studies of Equilibrium and Nonequilibrium Lattice-Gas Models in Materials Science
• Sparse Linear Algebra Algorithms for MPPs