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Markus Kowalewski: Non-adiabatic molecular dynamics in light activated chemical reactions - computational challenges

Time: Thu 2020-10-08 14.15 - 15.00

Location: Online talk via Zoom

Participating: Markus Kowalewski, Stockholm University

Abstract: The fate of a molecule after excitation with light is determined by its excited state potential energy surface. While most molecules make their way back to the ground state by spontaneous emission or non-radiative relaxation, some dissociate, isomerize, or are funneled through conical intersections. In our work we use molecular quantum dynamics simulation methods to investigate how the dynamics be probed by ultra-fast X-ray pulses or how they may be created artificially by quantized light field in optical resonators.