Gradients not needed: ML-driven propagation of nonadiabatic molecular dynamics without reference gradients

Journal:

Chemical Science

Published:

2026-03-25

DOI:

10.1039/d5sc09557c

Affiliations:

5

Authors:

4

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Institutions	Authors	Share
University of Warsaw (UW), Poland	2.000000	0.50
Texas Tech University (TTU), United States of America (USA)	1.000000	0.25
State Key Laboratory of Physical Chemistry of Solid Surfaces (PCOSS), XMU, China	0.333333	0.08
Nicolaus Copernicus University in Toruń (NCU), Poland	0.333333	0.08
Aitomistic, China	0.333333	0.08

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