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Computational Electronic Structure Theory Junior Group


Welcome to the Junior Group
"Computational Electronic Structure Theory"


Many exciting phenomena in physics, chemistry and biology are caused by the ultrafast motion of electrons and nuclei on atomic scales. We develop computational electronic structure methods to analyze ultrafast phenomena. Our main focus is on exploring the motion of electronic excitations in condensed matter. Current research topics include:

         Ultrafast electron dynamics        Electronic structure method development




Funding within the Emmy Noether Programme

We are very happy to receive funding within the Emmy Noether Programme of the DFG. In the project, we will analyze ultrafast exciton dynamics using quantum-mechanical simulations.

Press release of the University (in German)

Link to the project in gepris         


Highly conductive single-molecule topological insulators

Researchers in Prof. Venkataraman's group (Columbia University, New York) have built organic topological-insulator wires. Longer wires show an unusual increase in conductance. Our theoretical models support an interpretation of this finding based on topology.

Reference: Nat. Chem. 14, 1061 (2022)

Press release available at phys.org.


Topological high-harmonic generation 

Together with the groups of Prof. HuberProf. Richter (both UR) and Prof. Höfer (UR and Uni Marburg), we describe a novel generation mechanism of high harmonics in the surface state of a topological insulator.

Reference: Nature 593, 385 (2021)

Press release in German and in English.


Popular & Outreach


Computational Electronic Structure Theory Group


Dr. Jan Wilhelm

Institute of Theoretical Physics
University of Regensburg
Universitätsstraße 31
D-93053 Regensburg