Prof. Dr. Jörg Behler



The main topic of our group is the theoretical investigation of materials properties and of chemical processes at interfaces, which are relevant e.g. in heterogeneous catalysis and in electrochemistry. Further, we are interested in proton transfer processes in electrolyte solutions and at solid-liquid interfaces.

In order to perform large-scale molecular dynamics simulations of these systems, we develop highly accurate reactive potential-energy surfaces using machine learning techniques and electronic structure calculations.

More details can be found on our Homepage.


Theoretical Chemistry
Institute of Physical Chemistry
Georg-August-University Göttingen

Phone +49(0)551 39-12683

Mail joerg.behler (at)