March 2004 Updates on SciDAC Projects

Basic Energy Sciences (BES)

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

Biological and Environmental Research (BER)

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

Fusion Energy Science (FES)

• Center for Extended Magnetohydrodynamic Modeling (CEMM)
• Computational Atomic and Molecular Physics for Transport Modeling of Fusion Plasmas
• Magnetic Reconnection
• The Plasma Microturbulence Project
• Wave-Plasma Interactions: Non-Maxwellian Distributions and High Resolution in 2-D and 3-D

High Energy Physics and Nuclear Physics (HEP/NP)

• Shedding New Light on Exploding Stars: TeraScale Simulations of Neutrino Driven Supernovae and Their Nucleosynthesis
• Supernova Science Center (SNSC)
• Advanced Accelerators: Miniaturizing Accelerators from Kilometers to Meters
• Electromagnetic Systems Simulation – Prototyping through Computation
• Maximizing the Scientific Productivity of the Nation's Particle Accelerators Using SciDAC Beam Dynamics Simulations

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
• CCA Infrastructure and Enabling Technology
• The Performance Evaluation Research Center (PERC)
• PERC Collaborations with SciDAC Scientific Projects
• PERC Performance Modeling
• Tools for Performance Evaluation Research
• Scalable Systems Software for Terascale Computer Centers
• The Scientific Data Management Center

Mathematics Integrated Software Infrastructure Centers (ISICs)

• The Applied Partial Differential Equations Center (APDEC): an Integrated Software Infrastructure Center for Block-Structured Adaptive Mesh Refinement
• Overview of TOPS – Terascale Optimal PDE Simulations
• TOPS' Sparse Direct Solver for Ill-Conditioned Systems
• 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
• External Impact of TOPS Scalable Solver Software
• 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/Networks

• Bandwidth Estimation and Its Applications
• Bandwidth Estimation: Measurement Methodologies and Applications
• DataGrid Middleware: Enabling Big Science on Big Data
• The DOE Science Grid
• The Earth System Grid II: Turning Climate Model Datasets into Community Resources
• INCITE – Edge-based Traffic Processing and Inference for High-Performance Networks
• IQ-ECho: Interactive Quality of Service Across Heterogeneous Hardware
• Middleware Technology to Support Science Portals: a Gateway to the Grid
• National Fusion Collaboratory – “Advancing the Science of Fusion Research”
• Net100 –Developing Network-Aware Operating Systems
• Optimizing Performance and Enhancing Functionality of Distributed Applications using Logistical Networking
• The Particle Physics Data Grid Collaboratory Pilot: End-to-end Grid Systems for High Energy and Nuclear Physics Experiments
• Security and Policy for Group Collaboration

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