Research groups

The Biomolecular Modelling and Simulation Group investigates atomic-scale interactions between biomolecules using state-of-the-art molecular dynamics techniques. Our aim is to understand novel structure-function relationships in biochemical systems to understand their biological relevance in the context of pysiopathology, biotechnology and biomimetics.

The focus of the research group "Computational Additive Manufacturing" is on the development of new methods and software for material and process simulation in the fast-growing industrial area of ​​additive 3D printing technologies. The research projects of the group are very application-oriented and carried out in close cooperation with well-known industrial companies.

The HMI group investigates interfaces between technological materials and biological macromolecules at the atomic-level using both computational and experimental techniques. The used modelling methods range from Density-Functional Theory to Coarse-Grained force fields, with a strong focus on all-atom enhanced-sampling Molecular Dynamics.

Atomistic modelling methods at different levels of theory are employed to study the structure and properties of crystalline microporous materials. In current research, most emphasis is placed on the interaction of zeolites with pharmaceutically active species and other functional organic molecules.

We are a theoretical condensed matter physics research group mostly having fun at the intersection of nonequilibrium many-body physics, quantum materials, and quantum optics. We calculate model systems, carry out atomistic quantum mechanical simulations and develop open source scientific software.

Research focuses on the development of quantum chemical methods for the description of deformed molecules, in particular under the influence of hydrostatic pressure or mechanical forces. The developed methods are applied in the computer-aided design of functional materials as well as in the modeling of chemical reactions and adsorption processes.

Various semiconductor nanostructures and quantum materials are investigated for applications as active materials in electronics and optoelectronics. We study the interplay of nanostructuring and electronic properties as well as the dynamics of excited carriers influencing optical properties. Considered applications range from nanolasers to quantum light sources and quantum memories.