The Jörg Meyer Lab

The Meyer Lab focuses on developing a fundamental, atomistic understanding of chemical reactions at surfaces, with a particular emphasis on catalysis under non-equilibrium and technologically relevant conditions. Using advanced theoretical and computational approaches, the group studies how molecules interact with solid materials and how energy transfer, defects, and dynamical effects influence chemical reactivity. A core research theme is heterogeneous and plasma catalysis, including reactions relevant to sustainable chemical production such as ammonia synthesis. The lab investigates how vibrational excitation, electronic effects, and surface structure modify reaction pathways beyond the assumptions of traditional equilibrium models. Another major focus is the stability and oxidation behavior of functional materials used in nanoelectronics, where the group applies density functional theory (DFT) to understand defect formation, reaction barriers, and degradation mechanisms at the atomic scale. Methodologically, the lab relies heavily on first-principles electronic-structure calculations, molecular dynamics simulations, and microkinetic modeling. These tools are used to connect microscopic reaction mechanisms to macroscopic observables such as reaction rates, selectivity, and material stability. The Meyer Lab is a good fit for students with strong interests in physical chemistry, catalysis, or materials science, particularly those who enjoy theory-driven research. Ideal candidates are motivated to work with quantum chemistry, solid-state physics concepts, and computational methods, and are curious about how fundamental insights can contribute to more efficient and sustainable technologies.