Multilayer atomic cluster expansion for semilocal interactions
نویسندگان
چکیده
Semilocal interactions, induced by collaborative electronic relaxations, are captured the multilayer extension of atomic cluster expansion, thereby providing a physically transparent, accurate, and transferable machine-learning interatomic potential.
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ژورنال
عنوان ژورنال: Physical review research
سال: 2022
ISSN: ['2643-1564']
DOI: https://doi.org/10.1103/physrevresearch.4.l042019