A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry

Published: 12/01/2019
A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry
Source: FEEDS.RSC.ORG

Phys. Chem. Chem. Phys. , 2019, Accepted Manuscript DOI : 10.1039/C8CP06919K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Jun Li, Kaisheng Song, Jörg Behler The availability of accurate full-dimensional potential energy surfaces (PESs) is a mandatory condition for efficient computer simulations of molecular systems. Much

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