Welcome to the homepage of Felix Plasser at Loughborough University!
Felix Plasser joined the Department of Chemistry at Loughborough University on 1 February 2018. He is a member of the Centre for the Science of Materials. Work in his group revolves around the topic of computational photochemistry with a strong focus on quantum chemical method development.
We use computer simulations to learn about the interactions of molecules with light. The group is interested in a variety of applications in photochemistry concerning topics of technological, biological, and fundamental interest. Studies are performed on organic molecules as well as transition metal complexes. The molecules are simulated by high-level ab initio methods in connection with sophisticated wave function analysis protocols. Ultrafast dynamical processes are simulated using nonadiabatic dynamics simulations.
Selected publications
P. Kimber, F. Plasser
Energy Component Analysis for Electronically Excited States of Molecules: Why the Lowest Excited State Is Not Always the HOMO/LUMO Transition
J. Chem. Theory Comput., 19, 2340-2352 (2023).
M. T. do Casal, J. M. Toldo, M. Barbatti, F. Plasser
Classification of doubly excited molecular electronic states
Chem. Sci., 14, 4012-4026 (2023).
F. Plasser
TheoDORE: A toolbox for a detailed and automated analysis of electronic excited state computations
J. Chem. Phys., 152, 084 108 (2020).