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University of Regensburg
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Computational Electronic Structure Theory

The motion of electrons and atomic nuclei on ultrafast time scales lies at the heart of many processes in physics, chemistry, and biology, from the interaction of matter with light to the transfer of energy and charge. We use analytical models and numerical simulations to understand these processes and ultimately learn how to control and engineer them. We also develop efficient computational methods for describing the ultrafast motion of interacting electrons. Our group is part of the Regensburg Center for Ultrafast Nanoscopy (RUN) (external link, opens in a new window).

    

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Ultrafast Electron Dynamics

We study nonequilibrium electron dynamics in solids driven by ultrashort laser pulses. For our studies we use analytical models and numerical simulations.

Electronic Structure Methods

We design efficient algorithms based on many-body perturbation theory to study the interaction of light with crystals, nanostructures and complex interfaces.

News and Highlights

Quantum geometry in ultrafast optics (external link, opens in a new window)

Quantum geometry describes the geometric properties of quantum states. Together with Giancarlo Soavi’s group (Uni Jena), we developed a theory focusing on one aspect of quantum geometry, the Berry curvature. We show how it can be probed on ultrafast timescales by analyzing the circular polarization of second-harmonic light. We use this approach to measure the Berry curvature in a semiconductor.

 

Nature Photonics (2026) (external link, opens in a new window)

A guide to the capabilities of the open-source CP2K program (external link, opens in a new window)

The CP2K community provides a user-oriented introduction of quantum-mechanical simulations with CP2K, including our recent developments for computing band structures and optical properties of molecules and materials. Many thanks to Thomas Kühne (CASUS & TU Dresden) for coordinating this effort.

   

Journal of Physical Chemistry B 130, 1237 (2026) (external link, opens in a new window) (selected as Editor's Choice)

Probe of Broken Time-Reversal Symmetry (TRS) with Third Harmonics (external link, opens in a new window)

We use third-harmonic Faraday rotation to probe whether TRS is preserved or broken in a crystal: zero rotation shows preserved TRS, non-zero rotation broken TRS (measurements by the group of Giancarlo Soavi, Uni Jena). Our analytical model reveals the microscopic mechanism causing Faraday rotation and shows its dependence on material parameters.

    

Nature Photonics 20, 186 (2026) (external link, opens in a new window)

News and Highlights from previous years
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