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March 2003 Updates on SciDAC Projects

Basic Energy Sciences (BES)

• Reliable Electronic Structure Calculations for Heavy Element Chemistry: Relativistic Pseudopotentionals for Very-Large-Core Lanthanide and Actinide Systems
  
• Development of New Scalable Multi-Reference Solutions for Electronic Structure, Dynamics, and Non-Equilibrium Statistical Mechanics of Complex Reaction Processes
  
• Guaranteed Precision and Speed – Multiresolution Quantum Chemistry
  
• Advanced methods for electronic structure: Local Coupled Cluster Theory
  
• A Computational Facility for Reacting Flow Science (CFRFS)
  
• New Coupled-Cluster Methods for Molecular Potential Energy Surfaces
  
• Relativistic Quantum Chemistry Software
  
• Next-Generation, Explicitly-Correlated Electronic Structure Methods
  
• Linear Scaling Electronic Structure Methods with Periodic Boundary Conditions
  
• Accurate Properties for Open-Shell States of Large Molecules
  
• Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry
  
• Advanced Software for the Calculation of Thermochemistry, Kinetics, and Dynamics and Theoretical Chemical Dynamics Studies for Elementary Combustion Reactions

Biological and Environmental Research (BER)

• Multi-Resolution Climate Modeling
  
• A Vertical Structure Module for Isopycnal Ocean Circulation Models
  
• Decadal Regional Climate Studies and Applications with Variable-Resolution GCMs Using Advanced Numerical Techniques - Côté
  
• Decadal Variability in the Coupled Ocean-Atmosphere System
  
• Collaborative Design and Development of the Community Climate System Model for Terascale Computers
  
• Decadal Regional Climate Studies and Applications with Variable-Resolution GCMs Using Advanced Numerical Techniques - Fox-Rabinovitz
  
• Modeling Dynamic Vegetation for Decadal to Century Climate Change Studies
  
• Continuous Dynamic Grid Adaptation in a Global Atmospheric Model
  
• Modeling and Analysis of the Earth's Hydrologic Cycle
  
• Towards the Simulation of Decadal to Multi-Century Processes in a High-Throughput Climate System Model
  
• Development of an Atmospheric Climate Model with Self-Adapting Grid and Physics
  
• A Geodesic Climate Model with Quasi-Lagrangian Vertical Coordinates
  
• Improving the Processes of Land-Atmosphere Interactions in CSSM 2.0 at High Resolution
• Predictive Understanding of the Oceans' Wind-Driven Circulation on Interdecadal Time Scales

Fusion Energy Science (FES)

• Numerical Calculations of Wave-Plasma Interactions in Multi-Dimensional Systems – Overview
  
• Electromagnetic Jekyll and Hyde: Understanding Waves that Suddenly Change their Nature
  
• Magnetic Reconnection: Center for Magnetic Reconnection Studies
  
• Center for Extended Magnetohydrodynamic Modeling (CEMM)
  
• The Plasma Microturbulence Project
  
• Computational Atomic Physics for Controlled Fusion

High Energy and Nuclear Physics (HENP)

• National Computational Infrastructure for Lattice Gauge Theory
  
• Advanced Modeling of Particle Accelerators Using SciDAC Beam Dynamics Codes - Ryne
  
• Advanced Modeling of Particle Accelerators Using SciDAC Beam Dynamics Codes - Ryne, Ko
  
• Electromagnetic Systems Simulation – “From Simulation to Fabrication”
  
• Shedding New Light on Exploding Stars: TeraScale Simulations of Neutrino Driven Supernovae and Their Nucleosynthesis (The TeraScale Supernova Initiative) – Overview
  
• Shedding New Light on Exploding Stars: TeraScale Simulations of Neutrino Driven Supernovae and Their Nucleosynthesis (The TeraScale Supernova Initiative) – Accomplishments
  
• Supernova Science Center (SNSC): Accomplishments and Plans
  
• Supernova Science Center (SNSC): Challenges and Collaborations

Advanced Scientific Computing Research (ASCR)

Computer Science Integrated Software Infrastructure Centers (ISICs)

• Center for Component Technology for Terascale Simulation Software
  
• Building Component-Based Terascale Applications Using the CCA
  
• The Technology and Infrastructure that Enable the CCA
  
• The Performance Evaluation Research Center (PERC)
  
• PERC Collaborations with SciDAC Scientific Projects
  
• PERC Performance Modeling
  
• Tools for Performance Evaluation Research
  
• The Scientific Data Management Center
  
• Scientific Data Management: Center Scientific Data Integration
  
• Gleaning Insight from Scientific Simulation Data
  
• Efficient Processing and Access of Very Large Datasets
  
• Parallel Data Access and Grid I/O
  
• Scalable Systems Software for Terascale Computer Centers

Mathematics Integrated Software Infrastructure Centers (ISICs)

• The Applied Partial Differential Equations Center (APDEC): An Integrated Software Infrastructure Center for Block-Structured Adaptive Mesh Refinement
  
• The Applied Partial Differential Equations Center (APDEC): Combustion Applications
  
• Overview of TOPS – Terascale Optimal PDE Simulations
• TOPS Scalable Eigensolvers for Accelerator Design and Thermochemistry
  
• TOPS Scalable Solvers for Complex Field Simulations
  
• TOPS Software for Optimization of Simulated Systems
  
• Performance Optimization of Sparse Kernels in TOPS
  
• The Terascale Simulation Tools and Technology Center
  
• Discretization Tools for Terascale Computational Science from the Terascale Simulation Tools and Technology (TSTT) Center
  
• Developing Interoperable Meshing and Discretization Technologies in the Terascale Simulation Tools and Technology (TSTT) Center
  
• Mesh Generation and Adaptivity – Tools from the Terascale Simulation Tools and Technology (TSTT) Center

Collaboratories

• March 2003 Updates The DOE Science Grid
  
• The Earth System Grid II: Turning Climate Model Datasets into Community Resources
  
• Particle Physics Data Grid
  
• Particle Physics Data Grid (PPDG): An Interdisciplinary Collaboration Contributing to and Benefiting from Shared Grid Technology
  
• Particle Physics Data Grid (PPDG): Physics Simulated on the Data Grid
  
• Particle Physics Data Grid (PPDG): Terabyte-Scale Multi-File Replication
  
• National Fusion Collaboratory – "Advancing the Science of Fusion Research"
  

Computer Networking and Middleware

• DataGrid Middleware: Enabling Big Science on Big Data
  
• Middleware Technology to Support Science Portals: A Gateway to the Grid
• Bandwidth Estimation: Measurement Methodologies and Applications
  
• INCITE – Edge-Based Traffic Processing and Inference for High-Performance Networks
  
• Optimizing Performance and Enhancing Functionality of Distributed Applications using Logistical Networking
• Security and Policy for Group Collaboration