Fritz Haber Institute

Theory Department
Principal investigator: 
Prof. Dr. Karsten Reuter

The Fritz Haber Institute of the Max Planck Society, in short FHI, is an international research place where scientists from all over the world investigate the basic principles underlying the chemical conversion of matter and energy at surfaces and interfaces. In particular interfaces with liquids represent an area of enormous relevance in science and applications that will gain importance in future research at FHI. For this sizeable “terra incognita” in interface science, new and novel suitable methodologies for studying liquid interfaces will be developed.

The research in the Theory Department focuses on a quantitative modeling of materials properties and functions, and in particular on processes in working catalysts and energy conversion devices. For this we advance and employ predictive-quality multiscale models, advanced data science techniques and machine learning, thereby straddling the frontiers of physics, chemistry, computing sciences, as well as materials science and engineering.