Postdoctoral Researcher in Machine Learning Potentials and Theoretical Chemistry | Postdoctoral Researcher (m,f,x) in Machine Learning Potentials, Theoretical Chemistry II, Research A

Ruhr-Universität Bochum

Bochum, Nordrhein-Westfalen, Deutschland
Published Feb 24, 2026
Full-time
Fixed-term

Job Summary

This full-time postdoctoral position at the Chair of Theoretical Chemistry II at Ruhr-Universität Bochum offers an exceptional opportunity to work at the intersection of machine learning and materials science. As part of the Research Alliance Ruhr, you will focus on the development and parameterization of machine learning interatomic potentials and the implementation of novel algorithms into scientific software packages. Day-to-day responsibilities include generating training data through electronic structure calculations, conducting atomistic simulations, and presenting findings at international conferences and in peer-reviewed journals. The role is ideal for researchers with a PhD in a relevant field and strong programming skills who wish to work in a state-of-the-art high-performance computing environment. This position is particularly attractive due to its interdisciplinary nature and its location within a major research initiative in the North Rhine-Westphalia region, providing excellent networking opportunities across three major universities.

Required Skills

Education

PhD or doctoral degree in Chemistry, Physics, Materials Science, or a related field.

Experience

  • Professional experience in the development and parameterization of machine learning potentials
  • Experience in implementing algorithms within scientific software packages
  • Proven track record in conducting electronic structure calculations and atomistic simulations
  • Experience in presenting scientific results at international conferences
  • Experience in collaborative research environments

Languages

German (Basic)English (Fluent)

Additional

  • This is a fixed-term position for 3 years. The role is based in Bochum, Germany, and requires a full-time commitment of 39.83 hours per week.