PhD Position in Multiscale Modeling of Catalysis in Zeolites/MOFs at KIT – Karlsruhe, Germany

we are seeking talented and highly motivated students interested in pursuing a PhD at Karlsruhe Institute for Technology (KIT) in Germany within the Research Training Group RTG2450 “Tailored Scale-Bridging Approaches to Computational Nanoscience”.

The project focuses on the development and application of multiscale computational approaches to understand catalytic activity and selectivity of porous materials such as zeolites and metal-organic frameworks (MOFs). The student will perform molecular dynamics simulations, including enhanced sampling methods, and develop kinetic and statistical-mechanical models to investigate molecular processes occurring across multiple time and length scales.

We are particularly interested in students with experience in molecular dynamics simulations (e.g., GROMACS, OpenMM, LAMMPS, NAMD, or similar), programming skills in Python and/or C++, and an interest in molecular modeling, statistical mechanics, and computational approaches for chemistry and materials science. The ability to work independently as well as within an interdisciplinary research team and good communication skills in English are essential.

Applicants should hold (or be close to completing) a Master’s degree in:

• Chemistry
• Physics
• Materials Science
• Interdisciplinary natural sciences
• or a related field.

Experience with kinetic modeling, machine learning, or quantum chemistry methods is an additional advantage.

Interested students are encouraged to send a motivation letter and curriculum vitae to Prof. Wolfgang Wenzel wolfgang.wenzel@kit.edu and/or Dr. Mariana Kozlowska mariana.kozlowska@kit.edu.