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 Mapping2017link
Analysis of trajectory similarity and configuration similarityin on-the-fly surface-hopping simulation on multi-channelnonadiabatic photoisomerization dynamics
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Inclusion of Machine Learning Kernel Ridge Regression Potential Energy Surfaces in On-the-Fly Nonadiabatic Molecular Dynamics Simulation2018link
Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine2021link

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