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20122026
most citedMachine Learning Molecular Dynamics for the Simulation of Infrared Spectra

519 citations · 3k across the 38 of their papers we have counts for

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physics.chem-ph2025

Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials

Maximilian X. Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen +4

Excited-state nonadiabatic simulations with quantum mechanics/molecular mechanics (QM/MM) are essential to understand photoinduced processes in explicit environments. However, the…