PhD Student in Computational Chemistry | Chemiker (m/w/d)

Job Summary

This PhD position, based at the Max Planck Institute in Magdeburg, Germany, focuses on advancing computational homogeneous catalysis through molecular simulations and design. The successful candidate will conduct cutting-edge research, developing computational models and sustainable workflows to design novel, 'greener' catalysts and appropriate solvent systems. Day-to-day tasks include performing multi-scale simulations of reaction pathways, setting up data-driven models to predict catalytic reaction properties, and collaborating with experimental partners in interdisciplinary teams. This role requires a strong foundation in Computational or Theoretical Chemistry, proficiency in coding (Python/R), and excellent English communication skills for scientific publication. It offers a fixed-term, 36-month contract with state-of-the-art computing facilities and opportunities for international conference participation.