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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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Aradi, B.
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2010
Maupin CM
,
Aradi B
,
Voth GA
.
The Self-Consistent Charge Density Functional Tight Binding Method Applied to Liquid Water and the Hydrated Excess Proton: Benchmark Simulations
. J. Phys. Chem. B. 2010 ;114:6922-6931.
DOI
]