NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements

Nature Computational Science 2026 Open access

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Authors: Ting Liang, Ke Xu, Eric Lindgren, Zherui Chen, Rui Zhao, Jiahui Liu, Esmée Berger, Benrui Tang, Bohan Zhang, Yanzhou Wang, Keke Song, Penghua Ying
+7 more Nan Xu, Haikuan Dong, Shunda Chen, Paul Erhart, Zheyong Fan, Tapio Ala-Nissilä, Jianbin Xu
DOI: 10.1038/s43588-026-01009-6
Cited by: 22
References: 81

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Chemical Physics Studies Quantum many-body systems

Publication details

Journal / source
Nature Computational Science
Publisher
Springer Science and Business Media LLC
Volume
6
Issue
7
Pages
789–801
Publication date
8 July 2026
Language
EN