Author

C. Ortner

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#machine learning Open access Oct 2022

Tensor-reduced atomic density representations

This work forms compact tensor-reduced representation of the local atomic environment whose size does not depend on the number of chemical elements, is systematically convergable, and therefore remains applicable to a wide range of data analysis and regression tasks.

J. Darby, D. Kov'acs, Ilyes Batatia et al. · Physical Review Letters · 43 citations · ⚡1