In the group we use various computational modelling and simulation tools based on quantum mechanics and statistical physics to study catalytic reactions at different kinds of surfaces. We develop relationships between the composition and structure of the surface and the catalytic activity and selectivity to specific reaction products, including detailed mechanistic understanding about the dominant reaction pathways and rate-determining steps. As such, we work at the interface between physics and chemistry, with recent machine learning and compressed sensing-based methods applied having their origin in computer science.
We currently have open PhD positions. See the full call and apply here.
Students interested in doing their BSc or MSc projects in the group are invited to contact Mie Andersen.
In spring 2021 two new projects began. Click on the images below to learn more.
Wenbin Xu, Mie Andersen, Karsten Reuter
Martin Deimel, Karsten Reuter, Mie Andersen
Andrea Auer, Mie Andersen, Eva-Maria Wernig, Nicolas G. Hörmann, Nico Buller, Karsten Reuter, Julia Kunze-Liebhäuser
Juan Santiago Cingolani, Martin Deimel, Simone Köcher, Christoph Scheurer, Karsten Reuter, Mie Andersen