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
Co-auteurs externes :
yes
Langue du document :
Anglais
Titre :
Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dynamics: Feature Selection and Dimensionality Reduction with Machine Learning
Date de publication/diffusion :
13 décembre 2021
Titre du périodique :
Journal of Physical Chemistry Letters
eISSN :
1948-7185
Maison d'édition :
American Chemical Society, Washington, Etats-Unis - District de Columbia
