Dynamics and control of photochemical processes: linking ultrafast dynamics and experimental observables (C02)

• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2007 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 27112786

We investigate fast light induced reactions in solution or in structured environment. To these belong the behaviour of new hemithioindigo photoswitches in protein and DNA as well as the photophysics of putative fragments of melanine. In addition we use diphenylmethylderivates as an example to improve our recent QD/MD ansatz. We apply and develop quantum dynamical methods combined with on-the-fly and MD simulations to cover processes from the fs to the ns regime. Our aim is an atomistic description to clarify the reaction mechanisms and to optimize chemical synthesis in combination with light.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 749: Dynamics and Intermediates of Molecular Transformations
• Applicant Institution: Ludwig-Maximilians-Universität München
• Project Head: Professorin Dr. Regina de Vivie-Riedle