PhD Position in Theoretical Chemistry/Theoretical Surface Science

Center for Theoretical Chemistry, Ruhr-University Bochum, Germany

A PhD position in theoretical chemistry is immediately available in the group of Dr. Jörg Behler at the Ruhr-University in Bochum, Germany.

The project in the field of theoretical surface and materials science involves the development of state-of-the-art machine learning potentials based on artificial neural networks and electronic structure calculations like density-functional theory. These potentials, which allow to perform large-scale simulations of complex systems with first principles accuracy, will then be applied in molecular dynamics and Monte Carlo simulations to investigate the atomistic details of nanostructures and chemical processes at solid surfaces. A close collaboration with experimental groups in house is part of the project.

More information about the neural network potential methodology developed in our group can be found in:
J. Behler, J. Phys.: Condens. Matter 26 (2014) 183001
J. Behler, Phys. Chem. Chem. Phys. 13 (2011) 17930

The chemistry department of the Ruhr-University in Bochum is one of the leading chemistry departments for research in Germany. The Center for Theoretical Chemistry offers an exciting interdisciplinary research environment and excellent facilities including several high-performance parallel platforms in house. For more information, please see
http://www.theochem.ruhr-uni-bochum.de/home.en.html.

Interested candidates should hold a MSc in physics, chemistry or a related field. Experience in molecular dynamics, Monte Carlo simulations, density-functional theory, Fortran programming and/or working under Linux is advantageous but not essential. Good communication skills in English are mandatory.

Please send your application including a CV, copies of university degrees, a list of publications, a short research profile and contact addresses of academic references by email to

Dr. Jörg Behler

Lehrstuhl für Theoretische Chemie

Ruhr-Universität Bochum

44780 Bochum, Germany

Email: [email protected]

Consideration of candidates will begin immediately and continue until the position is filled.

The Ruhr-University is an equal-opportunity employer and particularly welcomes applications by women.