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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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2023
Loose TD
,
Sahrmann PG
,
Qu TS
,
Voth GA
.
Coarse-Graining with Equivariant Neural Networks: A Path Towards Accurate and Data-Efficient Structural Models
. J. Phys. Chem. 2023 ;127:10564–10572.
DOI