Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation.

Details

Language :

English

ISSN :

15499618

Volume :

19

Issue :

11

Database :

Supplemental Index

Journal :

Journal of Chemical Theory & Computation

Publication Type :

Academic Journal

Accession number :

164297623

Full Text :

https://doi.org/10.1021/acs.jctc.3c00234