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physics.chem-ph2023★ 596 cited
DeePMD-kit v2: A software package for Deep Potential models
Jinzhe Zeng, Duo Zhang, Denghui Lu +44
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. T…
physics.comp-ph2023
On the equivalence of the hybrid particle-field and Gaussian core models
Morten Ledum, Samiran Sen, Sigbjørn Løland Bore +1
Hybrid particle-field molecular dynamics is a molecular simulation strategy wherein particles couple to a density field instead of through ordinary pair potentials. Traditionally c…