Organizers: Claudia Filippi (University of Twente, The Netherlands), Filippo Lipparini (University of Pisa, Italy), Benedetta Mennucci (University of Pisa, Italy)
The scientific aim of the Psi-k workshop “Photoinduced Processes in Embedded Systems” was to bring together researchers from the physics, chemistry, and biophysics communities working on the computational study of photo-physical processes in complex systems. Modelling such phenomena is challenging since they involve very different space and time scales, from the extremely fast, localized absorption of light to the collective, slow motions of the environment.
The workshop has focused on some of the most recent theoretical and algorithmic developments in the field such as:
- DFT embedding for excited states
- Hybrid QM/Classical approaches
- Highly-correlated methods for excited-state dynamics
- TDDFT outside the Franck-Condon region
- Non-adiabatic dynamics
These methodological aspects have been framed in the context of realistic applications to materials and biosystems such as:
- Natural photosynthetic systems
- Photo-induced signal transduction in bio-systems
- Bio-mimetic light-driven molecular devices
- Photo-induced charge propagation in solar-energy devices
You can read the full workshop report here.