HOME RESEARCH GROUPS
Christof Hättig: Quantum Chemistry
The Hättig group is working on a number of projects concerned with the accurate description of interactions between molecules and of molecules with surfaces, solvents and external (e.g. electric or magnetic) fields. The main tools for these investigations are the well-known quantum chemistry package TURBOMOLE, to which they also contribute as a development group, and the quantum chemistry packages DALTON, CFOUR, and Molpro.
Martina Havenith-Newen: Laser Spectroscopy and Biophotonics
Kinetic THz absorption (KITA) has been developed by the Havenith group as a tool to probe changes in solvation dynamics upon biological function. KITA studies of protein folding in real time revealed that changes in solvent dynamics are coupled to secondary structure formation of the protein.
Christian Herrmann: Protein Interactions
The Herrmann group investigates the interactions of proteins with other proteins and small molecules like water and co-solvents by means of biophysical and structural techniques. Thereby, they address the mechanism of biological processes (signal transduction) and, in addition, they want to elucidate the quantitative relationship between protein complex structures and the underlying binding energetics.
Sebastian Kruss: Microscopy/Spectroscopy of Nanomaterials and Soft Interfaces
The Kruss group develops powerful biosensors and imaging tools for the investigation of complex chemical and biological systems. Research spans from understanding the photophysics of carbon nanotubes, to novel near infrared and Raman spectroscopy-based imaging techniques to study the surface structure of biomolecules, to Monte-Carlo simulations which explore resolution limits and provide mechanistic insights of imaging with nanosensors. Fluorescence and atomic force microscopy are also used to investigate neutrophil extracellular traps (NETs) in real time on the single-cell level.
Dominik Marx: Ab Initio Simulations
The general theme of the Marx research group consists in understanding structure, dynamics, and chemical reactions of complex molecular many-body systems - bridging the gap between chemistry and physics. The aim is to capture nature as closely as possible by theoretical means - the basic entities being nuclei and electrons.
Marialore Sulpizi: Theoretical physics of electrified liquid-solid interfaces
Using ab initio and atomistic molecular dynamics simulations, the Sulpizi Group investigates electrified interfaces under non-equilibrium conditions to gain knowledge of the molecular structure at solvated surfaces. Research highlights include studies of transport and signal transmission at biomembranes, photocatalysis and energy storage devices by simulating transport, separation and transformation of charge and mass at the nanoscale.
Karina Morgenstern: Atomistic and Molecular Structures and Dynamics
The research methods of Physical Chemistry I are the Scanning Tunnelling Spectroscopy, Spectroscopy with STM, Inelastic Electron Tunneling Spectroscopy, IET manipulation, Femtochemistry on the nanoscale, FTIR-Spectroscopy, High Resolution Electron Energy Loss Spectroscopy and X-ray Photoelectron Spectroscopy (XPS).
Martin Muhler: Heterogeneous Catalysis
The Muhler group performs fundamental research in the area of heterogeneous catalysis and aims to develop catalysts based on mechanistic insight. The scientific challenge is the elucidation of the reactions on the atomic level and their interplay with the complex surface chemistry of heterogeneous catalysts, which usually consist of many phases and components, often present as nanoparticles or as X-ray amorphous layers.
Poul Petersen: Nonlinear Infrared Spectroscopy
The Petersen Group develops and utilizes novel vibrational spectroscopies to directly probe ultrafast dynamics at surfaces and in the bulk. Research topics include the use of surface-specific spectroscopy to investigate interfacial and biological water, and surface-bound catalysts and dyes for solar energy conversion. Ultrafast mid-IR continuum spectroscopy is used to probe hydrogen-bonded complexes and proton transfer reactions and intraband transitions in semiconductor nanomaterials.
Wolfram Sander: Physical Organic Chemistry
The focus of the Sander group is in the field of physical organic chemistry. The ambitious goals of physical organic chemistry are to predict structures and properties of reactants, transition states, and products of any reaction and thus to predict the course of chemical reactions.
Lars Schäfer: Molecular Simulation
The Schäfer group investigates links between structure, dynamics, and function of large biomolecular systems by means of computer simulations. To that end, we develop and apply theoretical methods to study biomolecules at the atomic level, mostly using molecular dynamics (MD) simulations.
Rochus Schmid: Computational Materials Chemistry
The research of the Schmid group focuses on the development and application of theoretical methods for the simulation of complex systems in materials chemistry on an atomistic level. All the projects have in common that they strive to devise atomistic models which are able to bridge the length- and time-scales and thus to overcome the intrinsic problem in the simulation of materials systems.
- For further information on the research groups of the Department of Chemistry and Biochemistry please refer to the page “Chairs and Workgroups”.
- For further information on the research groups of the Research Department Interfacial Systems Chemistry (RD IFSC) please refer to the page “Scientists”.