Faculty of Chemistry and Biochemistry :
Chair of Theoretical Chemistry II

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

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 topic of the project is the development and application of high-dimensional neural network potentials in the field of heterogeneous catalysis at solid-liquid interfaces. A close collaboration with theoretical and experimental groups is planned. As application documents please provide a motivation letter, a CV including a list of publications, copies of transcripts and certificates.

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/daf/mitarbeitende/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 [email protected].

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

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 2026-08-17. Please make sure to mention the reference number ANR 5885.

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