Performance and Cost Assessment of Machine Learning Interatomic Potentials

Zuo, Yunxing ; Chen, Chi ; Li, Xiangguo ; Deng, Zhi ; Chen, Yiming ; Behler, Jörg ; Csányi, Gábor ; Shapeev, Alexander V ; Thompson, Aidan P ; Wood, Mitchell A ; Ong, Shyue Ping

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-01, Vol.124 (4), p.731-745 [Periódico revisado por pares]

United States: American Chemical Society

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