Geert-jan Kroes

Biography

My father studied chemical technology at the Technical University of Delft, so my interest for chemistry is in the genes! I became really interested in chemistry when it became clear to me that it is also possible to simulate chemical reactions, using computers. I am mainly interested in the dynamics of chemical reactions. How fast are chemical reactions? How are reactions influenced by the forces between the atoms? The topic I focus on concerns reactions of molecules at metal surfaces. My research goals are to improve the description of the interaction of molecules with metal surfaces, and to understand how the molecule's initial quantum state, the vibrations in the surface (surface phonons) and non-adiabatic effects like electron-hole pairs affect reactions of molecules at metal surfaces. I also perform research that is relevant to the production and storage of hydrogen, because I want to contribute to the scientific solutions that will enable the introduction of the hydrogen economy. Finally, I collaborate with Prof. Ewine van Dishoeck on reactions at and in ice surfaces that are relevant to astrochemistry.

Research Interest

The goal of Geert-Jan Kroes is to achieve the ability to predict the outcome of chemical reactions of small molecules, like methane, with metal surfaces. This requires an accurate modeling of the molecule-metal surface interaction and of the reaction dynamics.