Implementation and Validation of an OpenMM Plugin for the Deep Potential Representation of Potential Energy
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DOI: 10.3390/ijms25031448
Abstract: Machine learning potentials, particularly the deep potential (DP) model, have revolutionized molecular dynamics (MD) simulations, striking a balance between accuracy and computational efficiency. To facilitate the DP model’s integration with the popular MD engine OpenMM,… read more here.
Keywords: deep potential; energy; validation openmm; implementation validation ... See more keywords