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Gregory Voth
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Theory of Coarse-Graining and Multiscale Phenomena
Charge Transport
Renewable Energy Materials
Simulations of Biomolecular Systems
Software: OpenMSCG
Software: RAPTOR
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Narayanan, G.
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Journal Article
Narayanan G
,
Izvekov S
,
Voth GA
.
Ab initio Molecular Dynamics Simulation of the H/InP(100)–Water Interface
. J. Chem. Phys. 2002 ;117:872-884.
DOI