Repository logo
 

Machine-learning-based interatomic potentials for advanced manufacturing

Published version
Peer-reviewed

Change log

Authors

Yu, W 
Ji, C 
Wan, X 
Zhang, Z 
Robertson, J 

Abstract

jats:titleAbstract</jats:title>jats:pThis paper summarizes the progress of machine‐learning‐based interatomic potentials and their applications in advanced manufacturing. Interatomic potential is essential for classical molecular dynamics. The advancements made in machine learning (ML) have enabled the development of fast interatomic potential with ab initio accuracy. The accelerated atomic simulation can greatly transform the design principle of manufacturing technology. The most widely used supervised and unsupervised ML methods are summarized and compared. Then, the emerging interatomic models based on ML are discussed: Gaussian approximation potential, spectral neighbor analysis potential, deep potential molecular dynamics, SCHNET, hierarchically interacting particle neural network, and fast learning of atomistic rare events.</jats:p>

Description

Keywords

46 Information and Computing Sciences, 34 Chemical Sciences, 4611 Machine Learning

Journal Title

International Journal of Mechanical System Dynamics

Conference Name

Journal ISSN

2767-1399
2767-1402

Volume Title

1

Publisher

Wiley
Sponsorship
National Natural Science Foundation of China (51727901, U1501241, 62174122)
National Key R&D Program of China (2017YFB1103904)
Wuhan University Junior Faculty Research (2042019KF0003)
Hubei Provincial Natural Science Foundation of China (2020CFA032)