Application until 2026-01-17 Start of work 2 February 2026 Scope of work 39 h The Department of Molecular Simulations and Design (Prof. Dr. Matthias Stein) at the Max Planck Institute for Dynamics of Complex Technical Systems is inviting applications for the PhD Student (f/m/d) position. The Max Planck Institute in Magdeburg is a high profile research institution. Research topic: "Enhance Activities in Computational Homogeneous Catalysis”. This is a PhD position in Computational Chemistry, located in Magdeburg, Germany. The selected candidate will be responsible for conducting research in computational chemistry, developing computational models, analyzing molecular systems, and interpreting chemical data. The project aims at developing a sustainable workflow to design new and 'greener' catalysts and appropriate solvent systems. The role involves collaboration with experimental partners in interdisciplinary teams, participation in academic discussions, and contributing to scientific publications. Multi-scale simulations of reaction pathways in homogeneous catalysis Computational design of novel non-precious catalysts Assessment and development of newly designed workflows Setup of data-driven models to predict properties of catalytic reactions Strong foundation in Computational Chemistry, Theoretical Chemistry, or Molecular Modeling Proficiency in coding and scripting languages such as Python, R, or similar, as well as experience with computational software used in Chemistry Analytical skills and experience in scientific data analysis Ability to work collaboratively in interdisciplinary environments Excellent written and verbal communication skills in English, with experience in preparing scientific publications or presentations A Master's degree in Chemistry, Physics, Biophysics, or a related field is required; prior research experience is advantageous Curiosity-driven mindset with a strong interest in advancing the field of computational chemistry Working knowledge of Linux operating systems and job scheduling Remuneration in salary group E13, 75 % (public sector, TVöD-Bund) Job with a fixed-term employment contract in the public sector for a term of 36 months. Working in a collaborative and interdisciplinary environment State-of-the-art computing facilities Opportunity to attend national and international scientific conference Possibility of training and personal development