PhD Student in Computational Homogeneous Catalysis – Max Planck Institute for Dynamics of Complex Technical Systems

The Department of Molecular Simulations and Design, led by Prof. Dr. Matthias Stein at the Max Planck Institute for Dynamics of Complex Technical Systems in Magdeburg, Germany, is seeking a highly motivated PhD student to join their research group. The research project, titled "Enhance Activities in Computational Homogeneous Catalysis," focuses on developing sustainable workflows for the design of new and environmentally friendly catalysts and solvent systems using advanced computational chemistry techniques. The successful candidate will engage in multi-scale simulations of reaction pathways in homogeneous catalysis, computational design of novel non-precious catalysts, and the development and assessment of innovative workflows. The role also involves setting up data-driven models to predict properties of catalytic reactions, collaborating with experimental partners, and contributing to scientific publications within an interdisciplinary team environment. Applicants should possess a strong background in computational chemistry, theoretical chemistry, or molecular modeling, and must hold a Master's degree in Chemistry, Physics, Biophysics, or a related field. Proficiency in coding and scripting languages such as Python or R, experience with computational chemistry software, and strong analytical skills are essential. Candidates should demonstrate excellent communication skills in English, experience in scientific writing or presentations, and the ability to work collaboratively. Familiarity with Linux operating systems and job scheduling is expected, and prior research experience is advantageous. The position offers a fixed-term contract for 36 months with remuneration according to salary group E13, 75% (public sector, TVöD-Bund). The institute provides a collaborative and interdisciplinary research environment, state-of-the-art computing facilities, and opportunities for professional development, including attendance at national and international conferences. The Max Planck Society is committed to equal opportunities, diversity, and the inclusion of underrepresented groups, and encourages applications from qualified women and individuals with disabilities. Applications are accepted on a rolling basis until the position is filled, with the latest possible start date being February 2, 2026. Interested candidates should submit their application, including a cover letter, curriculum vitae, and copies of Bachelor and Master certificates, via the online application portal. For further information, applicants may contact Prof. Dr. Matthias Stein, Head of the MSD Group.