Postdoc (m,f,x) in Machine Learning Potentials, Theoretical Chemistry II, Research Alliance Ruhr (Wissenschaftliche/r Mitarbeiter/in)

In order to fill a fixed-term position in full-time (39.83 hours/week = 100%) at the earliest possible date, we are looking for a

Postdoc (m,f,x) in Machine Learning Potentials, Theoretical Chemistry II, Research Alliance Ruhr

The Chair of Theoretical Chemistry II at Ruhr-Universität Bochum (RUB) is part of the Research Center Chemical Sciences and Sustainability of the Research Alliance Ruhr (RAR). The RAR is a joint initiative of TU Dortmund, Ruhr-Universität Bochum and Universität Duisburg-Essen funded by the state of North Rhine-Westphalia to expand the research landscape in the metropolitan area Ruhr. Our group is located close to the RUB campus in Bochum. Our main research focus is the development and application of machine learning interatomic potentials for large-scale atomistic simulations in chemistry and materials science. We offer an exciting interdisciplinary and international research environment as well as excellent working conditions with state-of-the-art equipment and high-performance computing facilities.

Scope: full-time
Duration: fixed-term, 3 years
Start: at the earliest possible date
Apply by: 2026-08-17

Your tasks:

- development and parameterization of machine learning interatomic potentials for heterogeneous catalysis
- implementation of new algorithms in scientific software packages
- generation of training data using electronic structure calculations, atomistic simulations
- presentation of scientific results at conferences and in journal publications
- participation in national and international collaborative projects of the group
- support of the tasks in the Chair, e.g. support in supervision of undergraduate students (e.g. Bachelor and Masters students)

Your profile:

- you hold a PhD or doctoral degree in chemistry, physics, materials science or a related field (latest at the start of the contract)
- you have programming experience (e.g. Python, Fortran) and are highly motivated to contribute to the development of new methods and scientific software
- you have a solid background in electronic structure calculations, preferably density functional theory
- ideally, you have experience in atomistic simulation methods like molecular dynamics
- you have very good English skills (spoken and written), German language skills are desirable but not mandatory

https://jobs.ruhr-uni-bochum.de/jobposting/8242b2016e9a84714ee5882a0aab89a8f54800f70?ref=AfA (https://jobs.ruhr-uni-bochum.de/jobposting/8242b2016e9a84714ee5882a0aab89a8f54800f70?ref=AfA)