Post-doc in Computational Reaction Discovery at Heinrich Heine University Düsseldorf, Germany

The group Theory and Simulation of Complex Systems at Heinrich Heine University Düsseldorf, Germany ( is seeking a highly motivated and talented researcher in computational chemistry to join our team as a postdoctoral researcher (100 % TV-L E13) in the department of chemistry starting as soon as possible.

The candidate will develop and validate new tools for reaction discovery on surfaces, within the context of origins of life and chemical evolution using enhanced sampling techniques. For this, periodic electronic structure codes will be used in combination with tools for automated reaction discovery. The long-term goal is to obtain a deeper understanding of chemical reaction mechanisms of pre-biotic chemistry by investigating chemical reaction networks.

Your profile:
The candidate must hold an excellent PhD and MSc degree in computational/theoretical chemistry, physics, or related, and have profound English skills. The successful candidate (m/f/d) will be a highly motivated, creative and ambitious team player. Experience in performing electronic structure calculations and/or ab initio molecular dynamics on high performance architectures is essential. Desirable are programming skills, experience with heterogeneous catalysis or kinetic modelling, and/or data visualization.

What we offer:
We offer a fully funded position for 2 years with a strongly supportive environment and further training opportunities as well as funded conference and work-shop visits. Our recently established group offers a creative and supportive environment and has access to cutting-edge high-performance computing facilities. The successful candidate will have the opportunity to co-supervise (PhD) students. The city of Düsseldorf is highly international and vibrant. The connection to various (chemical) companies in the Rhine-Ruhr metropolitan region also offers several career opportunities.

How to apply:
Interested applicants are encouraged to directly send their application documents (cover letter explaining motivation/career goals and scientific interest, CV, diplomas, names of at least two (academic) references) as one pdf document via e-mail to Jan Meisner (