Prof. Dr. Caterina Cocchi
Institute for Condensed Matter Theory and Optics
Friedrich-Schiller-Universität Jena
gives a talk on the subject:
Ab initio ultrafast spectroscopy of hybrid organic/inorganic interfaces
The ultrafast dynamics at hybrid organic/inorganic interfaces are governed by electronic and vibrational coherence following resonant laser excitation. In this colloquium, I will showcase the capability of ab initio methods based on real-time time-dependent density functional theory coupled to Ehrenfest dynamics to provide insight into these complex sub-picosecond phenomena. Considering different systems, including conjugated molecules on 2D semiconductors and organic donor-acceptor complexes, I will discuss the non-trivial interplay between the external field and the electronic and nuclear degrees of freedom that dictates the efficiency of charge transfer. The results highlight the need for accurate theoretical modeling to understand and control coherent dynamics in molecular heterostructures.
Interested parties are cordially invited.
Prof. Dr. Kühn