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Distributed representations of atoms and materials for machine learning

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Published in 2022 at "npj Computational Materials"

DOI: 10.1038/s41524-022-00729-3

Abstract: The use of machine learning is becoming increasingly common in computational materials science. To build effective models of the chemistry of materials, useful machine-based representations of atoms and their compounds are required. We derive distributed… read more here.

Keywords: machine learning; distributed representations; representations atoms; learning distributed ... See more keywords