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Machine learning enhanced empirical potentials for metals and alloys

Chen, X; Wang, LF; Gao, XY; Zhao, YF; Lin, DY; Chu, WD; Song, HF

Song, HF (corresponding author), Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China.; Lin, DY (corresponding author), CAEP Software Ctr High Performance Numer Simulat, Beijing 100088, Peoples R China.

COMPUTER PHYSICS COMMUNICATIONS, 2021; 269 ():

Abstract

Interatomic potential (i.e. force-field) plays a vital role in atomistic simulation of materials. Empirical potentials like the embedded atom method (......

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