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# Postdoc in Machine Learning Potentials, Theoretical Chemistry II, Research Alliance Ruhr

- **Company:** Ruhr-Universität Bochum
- **Location:** Bochum, Germany
- **Contract:** Temporary contract
- **Skills:** Training Data, Artificial Neural Networks, Computer Programming, Fortran (Programming Language), Python (Programming Language), Machine Learning, Enterprise Software Applications
- **Published:** July 22, 2026
- **Apply:** https://de.indeed.com/viewjob?jk=faf5db8962115227

## About the Role

* 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

## Description

* 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)
*, 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.


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