AisNet: A Universal Interatomic Potential Neural Network with Encoded Local Environment Features
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DOI: 10.1021/acs.jcim.3c00077
Abstract: This paper proposes a new interatomic potential energy neural network, AisNet, which can efficiently predict atomic energies and forces covering different molecular and crystalline materials by encoding universal local environment features, such as elements and… read more here.
Keywords: neural network; local environment; environment features; aisnet ... See more keywords