Performance and Cost Assessment of Machine Learning Interatomic Potentials

Machine learning of the quantitative relationship between local environment descriptors and the potential energy surface of a system of atoms has emerged as a new frontier in the development of interatomic potentials (IAPs). Here, we present a comprehensive evaluation of machine learning IAPs (ML-IA...

Full description

Bibliographic Details

Published in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 124; no. 4; p. 731
Main Authors:	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
Format:	Journal Article
Language:	English
Published:	United States 30.01.2020
ISSN:	1520-5215, 1520-5215
Online Access:	Get more information
Tags:	Add Tag No Tags, Be the first to tag this record!