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20182023
most citedInclusion of machine learning kernel ridge regression potential energy surfaces in on-the-fly nonadiabatic molecular dynamics simulation

184 citations · 262 across the 6 of their papers we have counts for

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physics.chem-ph2021★ 3 cited

Ultrafast Internal Conversion Dynamics Through the on-the-fly Simulation of Transient Absorption Pump-Probe Spectra with Different Electronic Structure Methods

Chao Xu, Kunni Lin, Deping Hu +3

The ultrafast nonadiabatic internal conversion in azomethane is explored by the on-the-fly trajectory surface-hopping simulations of photoinduced dynamics and femtosecond transient…