Groups | Dept. Gräter

Our research group is dedicated to advancing machine learning methods and models to predict molecular properties and simulate chemical reactions accurately and efficiently. We develop models that can address a wide range of systems, including reactive processes and biological molecules. [more]

Our goal is to decipher the mechanisms by which macro-bio-molecules interact with each other to carry out their functions in response to external stimuli. Computer simulations at different levels of resolution and complexity are carried out to achieve this goal. [more]

My group investigates redox and free radical reactions of biomolecules in vitro and living cells. 
We aim to understand cellular redox and free radical control mechanisms. Currently, we investigate the role of poly-sulfur as a basis of cellular redox and free radical control mechanisms. [more]

Our groups research seeks to uncover how proteins encode and respond to mechanical stress over evolutionary timescales. By linking mechanics, chemistry, and evolution, we aim to advance the understanding of tissue mechanics and ageing and to inspire the design of biomimetic protein materials. [more]

The main goal of our investigations have been and still are, on the one hand, on
the development of innovative simulation algorithms (in particular Lattice
Boltzmann / Molecular Dynamics hybrid schemes), and, on the other hand, on their
application to problems of soft-matter dynamics, with emphasis on hydrodynamic
interactions. [more]