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smooth overlap of atomic positions (SOAP)

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1 results in Keywords: smooth overlap of atomic positions (SOAP)

Theoretical and Computational Chemistry

Machine Learning Guided Approach for Studying Solvation Environments

Yasemin Basdogan, Mitchell C. Groenenboom, Ethan Henderson, Sandip De, Susan Rempe, John Keith

Version 1 posted 19 June 2019

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