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20242026
most citedMLatom software ecosystem for surface hopping dynamics in Python with quantum mechanical and machine learning methods

31 citations · 31 across the 9 of their papers we have counts for

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physics.chem-ph2025

WaveMixings.jl: a Julia package for performing on-the-fly time-resolved nonlinear electronic spectra from quasi-classical trajectories

Luis Vasquez, Sebastian Pios, Lipeng Chen +3

We present an efficient numerical implementation of the quasi-classical doorway-window approximation, specifically designed for on-the-fly simulations of time-resolved nonlinear sp…

physics.chem-ph2025

Simulation of Pump-Push Molecular Dynamics in the Heptazine-H2O Complex

Sebastian V. Pios, Maxim F. Gelin, Wolfgang Domcke +1

Pump-push-probe spectroscopy was employed for the exploration of charge-separation processes in organic photovoltaic blends as well as for proton-coupled electron-transfer (PCET) r…