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Postdoctoral Research Fellow in Machine Learning in Computational Chemistry

We are looking for a postdoctoral researcher to join a project on “Machine learning of electronic structure for quantum dynamics at surfaces” in the group of Dr. Reinhard Maurer in the Department of Chemistry at the University of Warwick. In this role you will work on a curiosity-driven project towards developing novel machine learning representations of electronic structure to enable hitherto unfeasible quantum dynamics simulations. By combining machine-learning methods, nonadiabatic dynamics methods, and Density Functional Theory, the project will develop a first principles-based simulation framework for the description of light and electron-driven reaction dynamics in heterogeneous catalysis and photocatalysis.

The project takes place in a large and vibrant interdisciplinary research group and will provide you with space and resources for your personal career and profile development. Combining method development, application to real-world problems, and collaboration with experimental groups. Your project will complement ongoing work by other members in the group working towards common goals. The initial contract is for up to 12 months with the possibility of an extension to a duration of 36 months.

Application Deadline: 16.08.2022


Several postdoc and PhD openings are available in the group in 2022 and 2023. Informal inquiries via email are welcome.

Start dates and topics are flexible. Topics are in the general areas of:

  • development of nonadiabatic and approximate quantum dynamics methods for condensed phase systems
  • Machine learning of electronic structure
  • Simulation of ultrafast dynamics at surfaces and light-driven catalysis

Group Openings

Applications from students interested in research at the Master's, PhD and PostDoc level are always welcome.

Contact us via Email!