Welcome to our website!

We use and develop modern theoretical tools to describe functional energy materials at the microscopic level. Our goal is to understand and predict electronic, optical, and dynamical properties in a wide range of complex materials systems. These include hybrid molecule-metal interfaces, halide perovskites, organic semiconductors, ion conductors, photocatalytically active molecules and more. To this end we combine quantum-mechanical methods, molecular dynamics, and state-of-the-art computational techniques, see research section.

Recent Group News

24.05.2023: David has been promoted to Associate Professor with a permanent W3 position (see here), many congratulations!

19.05.2023: We had a great time at our group retreat in Schliersee.

15.05.2023: Takeru Miyagawa joins us for his Ph.D. thesis. Welcome to the group, Takeru!

02.05.2023: The group would like to welcome a new M.Sc. student, Frederico Simões, as well as Simon Hackl who is joining us for his B.Sc. thesis.

27.03.2023: We warmly welcome Konstantin Gattinger, who is joining us for his B.Sc. thesis.

03.03.2023: Some of us attended a theoretical chemistry workshop in Austria, where we tasted the local cuisine during group dinner on the last evening.

03.02.2023: Late work of Christian and Shravan in collaboration with the Yaffe group, on static and dynamic disorder in FA-based perovskites, is published in J. Phys. Chem. Lett.

16.01.2023: We welcome Frederik Vonhoff in the group! He will work on his Ph.D. thesis with us.

Old News, Events, Pictures etc.