Equivariant Neural Network Force Fields for Magnetic Materials

Neural network force fields have significantly advanced ab initio atomistic simulations across diverse fields. However, their application in the realm of magnetic materials is still in its early stage due to challenges posed by the subtle magnetic energy landscape and the difficulty of obtaining tra...

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Hauptverfasser: Yuan, Zilong, Xu, Zhiming, Li, He, Cheng, Xinle, Tao, Honggeng, Tang, Zechen, Zhou, Zhiyuan, Duan, Wenhui, Xu, Yong
Format: Artikel
Sprache:eng
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