Welcome

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.

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Selected publications

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J. J. Nogueira, F. Plasser, L. González
Electronic Delocalization, Charge Transfer and Hypochromism in the UV Absorption Spectrum of Polyadenine Unravelled by Multiscale Computations and Quantitative Wavefunction Analysis
Chem. Sci. 2017, 8, 5682.

S. A. Mewes, F. Plasser, A. Dreuwjz-2017-001577_0004
Universal Exciton Size in Organic Polymers is Determined by Non-Local Orbital Exchange in TDDFT
J. Phys. Chem. Lett. 2017, 8, 1205.

F. Plasser, R. Crespo-Otero, M. Pederzoli, J. Pittner, H. Lischka, M. Barbattict-2013-011079_0009
Surface hopping dynamics with correlated single-reference methods: 9H-adenine as a case study
J. Chem. Theory Comput., 2014, 10, 1395-1405.

F. Plasser, H. Lischka
Analysis of excitonic and charge transfer interactions from quantum chemical calculations
J. Chem. Theory Comput. 2012, 8, 2777.