PhD Student in Theoretical Chemistry | PhD Student (f/m/d) Theoretical Chemistry

Job Summary

This role seeks a highly motivated PhD Student to join the Department of Theoretical Chemistry at CASUS/HZDR, contributing to cutting-edge research in energy and matter. The core responsibilities involve performing complex computational simulations, including Density Functional Theory (DFT) for activation energy barriers of radionuclide adsorption/desorption on clay mineral surfaces, and utilizing Kinetic Monte Carlo simulations to model large-scale surface interactions. The successful candidate must hold a Master's degree or equivalent in Chemistry, Materials Science, Physics, or a closely related field, and possess demonstrated experience in quantum simulations and Kinetic Monte Carlo techniques. Excellent teamwork skills are essential for collaborating within an interdisciplinary and international research environment. This position offers scientific excellence, extensive professional networking, and participation in a structured PhD program, all supported by the attractive social benefits and flexible working options of the German public sector (TVöD-Bund).