Equivariant tensor network potentials

Machine-learning interatomic potentials (MLIPs) have made a significant contribution to the recent progress in the fields of computational materials and chemistry due to the MLIPs’ ability of accurately approximating energy landscapes of quantum-mechanical models while being orders of magnitude more...

全面介绍

书目详细资料
Main Authors: M Hodapp, A Shapeev
格式: 文件
语言:English
出版: IOP Publishing 2024-01-01
丛编:Machine Learning: Science and Technology
主题:
在线阅读:https://doi.org/10.1088/2632-2153/ad79b5