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ABSTRACT:
SUBMITTER: Wang J
PROVIDER: S-EPMC11366765 | biostudies-literature | 2024 Sep
REPOSITORIES: biostudies-literature
Wang Junjie J Wang Yong Y Zhang Haoting H Yang Ziyang Z Liang Zhixin Z Shi Jiuyang J Wang Hui-Tian HT Xing Dingyu D Sun Jian J
Nature communications 20240901 1
Machine learning potential (MLP) has been a popular topic in recent years for its capability to replace expensive first-principles calculations in some large systems. Meanwhile, message passing networks have gained significant attention due to their remarkable accuracy, and a wave of message passing networks based on Cartesian coordinates has emerged. However, the information of the node in these models is usually limited to scalars, and vectors. In this work, we propose High-order Tensor messag ...[more]