Welcome to Theoretical Chemistry

We are interested in the ab initio modeling of chemical processes in electronic ground and excited states.

Current projects include:

• Photochemistry of vitamin D derivatives
• Ab initio modeling of time-resolved pump-probe experiments
• Vibronic effects in radiationless decay, absorption and emission spectra
• Development of non-adiabatic molecular dynamics methods
• Machine learning methods for the prediction of excited state process
• Photochemical switches and light-driven molecular machines