Preprint
Aug 2026
Cartesian tensor equivariant machine-learning force field for spin-dependent atomistic simulations
Magnetic materials exhibit an intricate coupling between atomic structure and spin degrees of freedom, posing a fundamental challenge for atomistic simulations across experimentally relevant length and time scales. Here we introduce HotPP-Spin, a spin-dependent extension of HotPP for magnetic machine learning interatom...
Junjie Wang, Yijie Zhu, Zhongwei Zhang et al.
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