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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-ph2023

Studies of Nonadiabatic Dynamics in the Singlet Fission Processes of Pentacene Dimer via Tensor Train Decomposition Method

Jiawei Peng, Deping Hu, Hong Liu +3

Singlet fission (SF) is a very significant photophysical phenomenon and possesses potential applications. In this work, we try to give the rather detailed theoretical investigation…