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Interdisciplinary Centre for Advanced Materials Simulation (ICAMS):
Department for Atomistic Modelling and Simulation
Data-Driven Methods for Atomistic Simulations
In order to fill a fixed-term position in full-time (39.83 hours/week = 100%) from 01.11.2026, we are looking for a
PostDoc position (m/f/x)
ICAMS - Interdisciplinary Centre for Advanced Materials Simulation, Department for Atomistic Modelling and Simulation, Data-Driven Methods for Atomistic Simulations research group
The successful candidate will contribute to ongoing research on machine-learning interatomic potentials and their application to atomistic simulations of materials and molecular systems.
Scope: full-time
Duration: fixed-term, 1 year
Start: from 01.11.2026
Apply by: 2026-06-17
Your tasks:
- Development, training, and evaluation of machine-learning interatomic potentials.
- Distillation of machine-learning interatomic potentials into computationally efficient models suitable for large-scale production simulations.
- Application of such potentials to atomistic simulations of chemically and technologically relevant systems.
- Methodological work on training workflows, uncertainty quantification, and validation strategies for data-driven atomistic models.
- Publication of results in peer-reviewed journals and presentation at international conferences.
Your profile:
Required:
- Completed doctorate (PhD) in physics, chemistry, materials science, or a closely related field, with above-average grades.
- Strong programming skills in Python and experience with the scientific Python stack.
- Demonstrated experience with atomistic simulations (DFT and/or molecular dynamics).
- Very good command of written and spoken English.
Desirable:
- Experience with machine-learning interatomic potentials and their training.
- Familiarity with high-performance computing environments.
- A track record of peer-reviewed publications appropriate to career stage.
We offer:
- A full-time PostDoc position (TV-L E13, 100 %) at ICAMS, Ruhr-Universität Bochum.
- Integration into the Department for Atomistic Modelling and Simulation under the supervision of Prof. Ralf Drautz, with access to substantial HPC resources.
- A stimulating, internationally oriented research environment.
- Family-friendly working conditions and the standard RUB diversity and equal-opportunity provisions.
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 (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.
We expect to receive a suitable application.
RUB sees itself as a university with an international presence. The campus languages are German and English. Competence in at least one of the two languages and the willingness to learn the other are a prerequisite. RUB provides corresponding free courses for employees.
German language courses are offered by the University Language Center (ZFA) in the field of German as a Foreign Language (DaF). https://www.daf.ruhr-uni-bochum.de/sbgk/index.html.en
The Staff Council has the right to 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.
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:
Ralf Drautz Tel.: +49 234 32 29308
Yury Lysogorskiy Tel.: +49 234 32 18267
Travel costs, accommodation costs and loss of earnings or other application costs for job interviews can unfortunately not be reimbursed.
We look forward to receiving your application via our online application portal by 2026-06-17. Please make sure to mention the reference number ANR 5761.
RUHR-UNIVERSITÄT BOCHUM
44801 Bochum
Universitätsstraße 150
SOCIAL MEDIA