Job Offer from October 23, 2025
The Fritz Haber Institute of the Max Planck Society for the Advancement of Science is one of the most internationally renowned research institutes. More than 400 employees in 5 scientific departments conduct and facilitate top-level research on historic grounds in Berlin-Dahlem, which is unique worldwide.
The Realistic Modeling of Catalytic Interface Dynamics Group in the Theory Department of the FHI, which will start Jan 2026, is offering a 3-year PhD position for ML-accelerated modeling of the dynamics of realistic catalytic interfaces.
This position is a combination of method development and applications in computational catalysis, at the interface of chemistry, physics, and computational sciences. The goal of the group is to explore the dynamic behavior of catalytic interfaces under reaction conditions, using machine-learned interatomic potentials (MLIPs) for automatic reaction network exploration for catalyst dynamics, and developing the next generation of kinetic Monte Carlo (kMC) simulations.
The project
The position will be funded through a Liebig PhD Fellowship in association with Dr. Patricia Poths. The applicant will work on preparing and using MLIPs for the automatic detection of catalyst restructuring and reactivity, and the development of tools to enable the next generation of kMC. This work will bring new levels of complexity to computational catalysis. Work in this group and department is on the cutting-edge of computational catalysis and surface science.
Your profile
The applicant should hold a master degree (or equivalent) in chemistry, physics, or a related discipline. Competence in programming (minimum python or equivalent) is assumed, as well as ease with complex mathematical concepts, and basic education in catalysis. Familiarity with statistical mechanics, data-driven approaches, and machine-learned interatomic potentials are highly beneficial but not required.
We offer
The 3-year Liebig PhD Fellowship is tax-free and is funded 1850 euros/month. The student is expected to take part in assisting teaching activities during the fellowship. Start time is beginning 2026.
Your application
Please submit your application via our online application portal including the following documents:
- Cover letter
- Curriculum vitae including
- Names and email addresses of three references
For more information, please contact: Dr. Patricia Poths (poths@fhi-berlin.mpg.de)
Theory Department, Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany.
We thank all applicants for their interest; however, only those individuals selected for an interview will be contacted.
Max Planck Society
The Max Planck Society strives for gender equality and diversity. Furthermore, the Max Planck Society aims to increase the participation of women in research at all levels. Therefore, applications by women are particularly welcome. The Max Planck Society is also committed to increasing the number of individuals with disabilities in its workforce and therefore encourages applications from such individuals.
Berlin
The Fritz Haber Institute (FHI) is located in the quiet south-west of Germany’s capital Berlin, which is a large, tolerant, and cosmopolitan city. Berlin offers a wide variety of culture, art, music, and outdoor opportunities.