Flow-Matching: Efficient Coarse-Graining of Molecular Dynamics without Forces.
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DOI: 10.1021/acs.jctc.3c00016
Abstract: Coarse-grained (CG) molecular simulations have become a standard tool to study molecular processes on time and length scales inaccessible to all-atom simulations. Parametrizing CG force fields to match all-atom simulations has mainly relied on force-matching… read more here.
Keywords: flow matching; efficient coarse; force matching; matching efficient ... See more keywords