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

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) forms part of the Research Center Chemical Sciences and Sustainability of the Research Alliance Ruhr (RAR). The group focuses on the development and application of machine learning interatomic potentials for large‑scale atomistic simulations in chemistry and materials science. We offer an interdisciplinary international research environment 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 and 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. supervision of undergraduate students (Bachelor and Master)

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

We offer

• employment at one of the largest universities in Germany within the University Alliance Ruhr

• challenging tasks with a high level of independence

• an exciting interdisciplinary and international working environment with state‑of‑the‑art equipment

• collaborations in a highly motivated and supportive team

• training and development opportunities

• the opportunity to present your work at international conferences

Further information

The position is salaried and based on the collective agreement of the Länder (TV‑L). If the personal and collective agreement requirements are met, the employee will receive pay grade E13 TV‑L.

Further information can be found at https://oeffentlicher-dienst.info/ (in German).

The place of work is Ruhr University Bochum. If the position is funded by third‑party funds, the employee has no teaching obligation.

The project focuses on the development and application of high‑dimensional neural network potentials in heterogeneous catalysis at solid‑liquid interfaces. A close collaboration with theoretical and experimental groups is planned.

Application documents requested: motivation letter, CV including a list of publications, copies of transcripts and certificates.

RUB is an international university. Campus languages are German and English. Competence in at least one of the two languages is a prerequisite; willingness to learn the other is required. German language courses are available.

The Staff Council may participate in all selection interviews. At the request of a candidate (m/f/x), it will ensure its participation in the entire procedure. Please contact wpr@rub.de.

Travel costs, accommodation costs and loss of earnings or other application costs for job interviews cannot be reimbursed.

We look forward to receiving your application via our online application portal by 2026‑08‑17. Please mention the reference number ANR 5885.

The Ruhr-Universität Bochum is one of Germany’s leading research universities, addressing the whole range of academic disciplines. A highly dynamic setting enables researchers and students to work across the traditional boundaries of academic subjects and faculties. To create knowledge networks within and beyond the university is Ruhr‑Universität Bochum’s declared aim.

The Ruhr-Universität Bochum stands for diversity and equal opportunities. For this reason, we favour a working environment composed of heterogeneous teams, and seek to promote the careers of individuals who are underrepresented in our respective professional areas. The Ruhr‑Universität Bochum expressly requests job applications from women. In areas in which they are underrepresented they will be given preference in the case of equivalent qualifications with male candidates. Applications from individuals with disabilities are most welcome.

Contact persons for further information

Prof. Dr. Jörg Behler, Tel.: +49 234 32 19780

Lisa Marie Stein, Tel.: +49 234 32 19781