Machine learning of atomic forces from quantum mechanics: An approach based on pairwise interatomic forces.

Autor: Ramzan, Ismaeel1 (AUTHOR), Kalayan, Jas1 (AUTHOR), Kong, Linghan1 (AUTHOR), Bryce, Richard A.1 (AUTHOR) richard.bryce@manchester.ac.uk, Burton, Neil A.2 (AUTHOR) neil.burton@manchester.ac.uk
Zdroj: International Journal of Quantum Chemistry. 11/5/2022, Vol. 122 Issue 21, p1-17. 17p.
Databáze: Academic Search Ultimate
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