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20232026
most citedMLatom software ecosystem for surface hopping dynamics in Python with quantum mechanical and machine learning methods

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physics.chem-ph2026

Ab Initio Simulation of Femtosecond Time-Resolved Multi-Pulse Spectroscopies applied to the HeptazineHO Complex

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

In multi-dimensional time-resolved spectroscopic experiments, multiple (more than two) short laser pulses with variable pulse delay times are employed for the time-resolved explora…