Group Leader

Key Publications

F. Deißenbeck, C. Freysoldt, M. Todorova, J. Neugebauer, S. Wippermann
F. Muckel et al., S. Wippermann, G. Bacher
Exciton-driven change of phonon modes causes strong temperature dependent bandgap shift in nanoclusters
E. Scalise, V. Srivastava, E. Janke, D. Talapin, G. Galli, S. Wippermann
T. Frigge et al., S. Wippermann et al.

Atomistic Modelling

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Atomistic Modelling

The motivation of this first principles theory group located inside an experimental department is to gain atomic level insight into key processes in the gas-phase, in solutions, at interfaces/surfaces and in nanostructures, which are inaccessible by other means. We develop predictive modelling techniques in close collaboration with experiments to calculate, understand and predict a wide range of materials properties.


Ab initio based methods, such as density functional theory (DFT), time-dependent DFT (TD-DFT), many body perturbation theory (GW/BSE), Greens and Wannier functions, molecular dynamics (MD), quantum chemistry.

Research Interests

Light-matter interaction at interfaces and in nanostructures

Electrified solid/liquid interfaces

Low-dimensional electronic systems

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