End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems

Linfeng Zhang, Jiequn Han, Han Wang, Wissam Saidi, Roberto Car, Weinan E. End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems. In Samy Bengio, Hanna M. Wallach, Hugo Larochelle, Kristen Grauman, Nicolò Cesa-Bianchi, Roman Garnett, editors, Advances in Neural Information Processing Systems 31: Annual Conference on Neural Information Processing Systems 2018, NeurIPS 2018, 3-8 December 2018, Montréal, Canada. pages 4441-4451, 2018. [doi]

Abstract

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