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.
We are looking for Ph.D. students – see here
Recent group news
21.04.2022: Xiangzhou’s work on disorder in halide perovskites has been published as an “Early-Career Forum Article” in ACS Applied Materials & Interfaces.
12.04.2022: The group has moved to new offices and welcomes its newest members: Christian Reverón Baecker, Franz Pöschl and Markus Amaseder.
04.04.2022: Our work on transversal halide motions is published as a “Rising Star” article in Advanced Science.
24.03.2022: David joins the board of the European Society for Quantum Solar Energy Conversion.
Theory of Functional Energy Materials (TheoFEM) 