We investigate the ultrafast phenomena of light-matter interaction on the nanoscale by means of real-time time-dependent density-functional theory.
Our research comprises organic molecule and complexes, low-dimensional materials, and also inorganic/organic interfaces, as part of our project within the CRC 951 "HIOS".
We are particularly interested in disclosing the fundamental mechanisms ruling the interaction between electronic and vibrational degrees of freedom in systems excited by ultrafast laser pulses.
- J. Krumland, A. M. Valencia, S. Pittalis, C. A. Rozzi, and C. Cocchi, Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules, J. Chem. Phys. 153, 054106 (2020).
- M. Jacobs, J. Krumland, A. M. Valencia, H. Wang, M. Rossi, and C. Cocchi, Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface, Adv. Phys. X 5, 1749883 (2020).