Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dynamics: Feature Selection and Dimensionality Reduction with Machine Learning

Reference : Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dyna...


	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	To cite this reference:	http://hdl.handle.net/10993/49391

Title :	Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dynamics: Feature Selection and Dimensionality Reduction with Machine Learning
Language :	English
Author, co-author :	How, Wei Bin [University of Luxembourg > > >]
	Bipeng Wang []
	Tkatchenko, Alexandre [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
	WeiBin, Chu []
	Oleg V. Prezhdo []
Publication date :	13-Dec-2021
Journal title :	Journal of Physical Chemistry Letters
Publisher :	American Chemical Society
Peer reviewed :	Yes
ISSN :	1948-7185
e-ISSN :	1948-7185
City :	Washington
Country :	DC
Permalink :	http://hdl.handle.net/10993/49391
DOI :	10.1021/acs.jpclett.1c03469

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Open access	183-dim-reduction-perovskite-JPCL-2021.pdf		Publisher postprint	3.37 MB	View/Open

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