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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
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Software: RAPTOR
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Izvekov* S
,
Swanson* JMJ
,
Voth GA
.
Coarse-graining in Interaction Space: A Systematic Approach for Replacing Long-ranged Electrostatics by Short-ranged Effective Potentials
. J. Phys. Chem. B. 2008 ;112:4711-4724.
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