Work

Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn–Sham Approach

Year: 2025

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.4c01475

Authors: Sung Wook Moon, Soohaeng Yoo Willow, Tae Hyeon Park, Seung Kyu Min, Chang Woo Myung

Institutions: Ulsan National Institute of Science and Technology, Sungkyunkwan University, Institute for Basic Science

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: National Research Foundation of Korea, Institute for Basic Science, National Supercomputing Center, Korea Institute of Science and Technology Information, Korea Institute for Advanced Study

OpenAlex ID: W4407178623

FWCI: 3.314

Cites: 74

Cited by: 9

Related to: 10