Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping

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Title
Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 10, Pages 4611-4623
Publisher
American Chemical Society (ACS)
Online
2017-09-02
DOI
10.1021/acs.jctc.7b00394

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