Research areas: Quantum Chemistry for Large Molecules, Development and Implementation of DFT and WFT Electronic Structure Methods, Dispersion Corrections (DFT-D), Non-Covalent Interactions, SCS-Methods, Excited States and Electronic Spectroscopy, Computational Chemistry
The main theme in our theoretical group is the development and application of quantum chemical methods for large molecules and molecular crystals. Mostly dispersion-corrected density functional methods are are used for structure prediction, exploration of chemical reaction mechanisms, and calculations of spectral properties. In this context electronic spectra (UV/ECD) and recently electron impact mass spectrometry (EI-MS) are main areas of research.
Other groups at other partner institutions
3rd IMPRS-RECHARGE Conference
Exploring Reactivity with Spectroscopy
May 19th-21st, 2021