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Can end-to-end learning from raw electronic structure explain magnetic anisotropy?

Topolnicki, Rafał et al.
arXiv (All) · Papers
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computational-physicsmaterials-science
Machine-learning models trained directly on electronic spectra can predict spin--orbit-driven properties, yet models with comparable predictive accuracy may learn different electronic dependencies. We examine this problem using magnetic anisotropy in atomic-scale magnets and a validation strategy de
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