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Martin Zacharias

Institution
Technische Universität München

Projects

Structure and Recognition in Microbial Membranes Proteins, and DNA

Lead Institution
Oak Ridge National Laboratory
Principal Investigator
T. Straatsma
Project type
Capability Research
Developments in simulation methodologies as well as computer hardware have enabled the molecular simulation of biological systems of increasing size and with increasing accuracy, providing molecular…

High Performance Computational Chemistry

Lead Institution
Technische Universität München
Principal Investigator
Martin Zacharias
Project type
Capability Research
Free energy perturbation method development.

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…

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…