中文

Journal of Shanghai University >

2024 , Vol. 30 >Issue 5: 802 - 812

DOI: https://doi.org/10.12066/j.issn.1007-2861.2603

Development and application of classical and machine learning interatomic potential

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  • 1. Materials Genome Institute, Shanghai University, Shanghai 200444, China; 2. School of Mechanics and Engineering Science, Shanghai University, Shanghai 200444, China

Online published: 2024-11-07

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Abstract

This study reviewed the history of several classical and machine learning (ML) potential functions and focused on the recent developments and applications of these potential functions in metal and covalent-bond materials. A comprehensive analysis of the advantages and disadvantages of ML and traditional potential functions was provided and a perspective on the development of more effective interatomic potentials was offered.

Key words： molecular dynamics (MD); interatomic potential; machine learning (ML); deformation mechanism

Cite this article

ZHAO Haoran1 , SHEN Qiang2 , WANG Peng2 . Development and application of classical and machine learning interatomic potential[J]. Journal of Shanghai University, 2024 , 30(5) : 802 -812 . DOI: 10.12066/j.issn.1007-2861.2603

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