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Rebecca Wade

Institution
HITS gGmbH

Projects

Advanced Biomolecular Simulations - Development and Applications

Lead Institution
Oak Ridge National Laboratory
Principal Investigator
T. Straatsma
Project type
Capability Research
This project focuses on two important components of biomolecular modeling and simulation: i) the development of novel molecular modeling capabilities and their efficient parallel implementations, and…

Development of Molecular Simulation Techniques

Lead Institution
HITS gGmbH
Principal Investigator
Rebecca Wade
Project type
Capability Research
Development of new and improved molecular dynamics simulation techniques with focus on parallelization and force filed modifications that enhance sampling of phase space.

Advanced Peta-Scale Molecular Dynamics Simulations

Lead Institution
Oak Ridge National Laboratory
Principal Investigator
T. Straatsma
Project type
Capability Research
Next generation supercomputers are expected to have tens of thousands of processors to achieve multiple teraflops, and likely up to hundreds of thousands of processors to achieve multiple petaflops…