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cond-mat.mtrl-sci2024
Learning Atoms from Crystal Structure
Andrij Vasylenko, Dmytro Antypov, Sven Schewe +4
Computational modelling of materials using machine learning, ML, and historical data has become integral to materials research. The efficiency of computational modelling is strongl…
cond-mat.mtrl-sci2022
Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties
Andrij Vasylenko, Dmytro Antypov, Vladimir Gusev +3
Fundamental differences between materials originate from the unique nature of their constituent chemical elements. Before specific differences emerge according to the precise ratio…