Molecular latent space simulators
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DOI: 10.1039/d0sc03635h
Abstract: Small integration time steps limit molecular dynamics (MD) simulations to millisecond time scales. Markov state models (MSMs) and equation-free approaches learn low-dimensional kinetic models from MD simulation data by performing configurational or dynamical coarse-graining of… read more here.
Keywords: space; kinetic models; space simulators; molecular latent ... See more keywords