Density functional theory (DFT) is the most common approximation method in quantum chemistry. We apply DFT in numerous applications ranging from the elucidation of catalytic reaction mechanism to the prediction of molecular spectra.
On the one hand, we work on the foundations of DFT, for example to understand how molecule with unpaired electron spins can be treated correctly. On the other hand, we develop next-generation approximations, e.g., for transition metal chemistry and for photo catalysis.