Generalized convolutional many-body distribution functional representations
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DOI: 10.1073/pnas.2415662122
Abstract: Significance In this work, we propose to represent chemical environments as vectorized objects which can be used as input for machine learning (ML) properties of atomistic systems. The proposed method efficiently captures the physics of… read more here.
Keywords: body distribution; convolutional many; many body; distribution functional ... See more keywords