The Felix Studt Lab

The Studt Lab at Karlsruhe Institute of Technology focuses on understanding and designing heterogeneous catalysts at the atomic scale, with a strong emphasis on sustainability-relevant chemical processes. Using state-of-the-art computational chemistry methods—primarily density functional theory (DFT), complemented by microkinetic modeling, Monte Carlo simulations, and machine-learning-assisted approaches—the lab investigates how catalyst structure, active sites, and metal–support interactions control reactivity and selectivity. A central research theme is the rational design of catalysts for energy and climate-related applications, including CO₂ conversion, sustainable fuel and chemical production, biomass and lignin valorization, and emission control catalysis. The group also develops and applies advanced theoretical frameworks to model electrochemical reactions, adsorption thermodynamics, and dynamic catalyst restructuring under reaction conditions. Close interaction with experimental collaborators ensures that theoretical insights are directly connected to measurable observables and real catalytic systems. The Studt Lab is an excellent fit for students with a strong interest in physical chemistry, catalysis, or materials science who enjoy quantitative problem-solving. Ideal candidates are motivated to work with quantum-chemical calculations, data-driven modeling, or theory–experiment integration. Students interested in contributing to sustainable energy technologies, green chemistry, and fundamental reaction mechanism research will find a highly stimulating and interdisciplinary research environment.