Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dynamics: Feature Selection and Dimensionality Reduction with Machine Learning
TKATCHENKO, Alexandre ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
WeiBin, Chu
Oleg V. Prezhdo
External co-authors :
yes
Language :
English
Title :
Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dynamics: Feature Selection and Dimensionality Reduction with Machine Learning
Publication date :
13 December 2021
Journal title :
Journal of Physical Chemistry Letters
eISSN :
1948-7185
Publisher :
American Chemical Society, Washington, United States - District of Columbia
