Electronic Structure Theory

Light–matter interaction and quantum technology define the framework of our research interests. Photovoltaics, semiconductors and their interfaces, heterogeneous catalysis and quantum nanostructures are typical examples of the functional materials and related phenomena we work on.

We develop quantum simulation methods based on the Feynman path integral approach and its computational implementations. Fermion sign problem is one of the grand challenges we face with Quantum Monte Carlo methods. With our novel numerical real-time path integral approach we aim at relieving this problem in practical calculations and simulations of many-body systems.