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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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Li J
,
Sode O
,
Voth GA
,
Hirata S
.
A Solid-Solid Phase Transition in Carbon Dioxide at High Pressures and Intermediate Temperatures
. Nat. Commun. 2013 ;4.
DOI
Sun R
,
Sode O
,
Dama JF
,
Voth GA
.
Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics
. J. Chem. Theory Comput. 2017 ;13.
DOI