Theoretical and Computational Surface Chemistry
Our research focuses on the theory and simulation of molecular reactions on surfaces and in materials. We study the structure, composition, and reactivity of molecules interacting with solid surfaces. Using quantum mechanical simulation methods, such as Density-Functional Theory, our goal is to find a detailed understanding of the explicit molecular-level dynamics of molecular reactions as they appear in heterogeneous catalysis, photochemistry and nanotechnology. Our method development efforts target the efficient simulation of nonadiabatic and quantum effects in large surface-adsorbate systems, complex surface nanostructures, and gas-surface dynamics.
New Group Logo!
Thanks to Sam, we now have a group logo
- Ph.D. opportunity for autumn 2021 start date.
- 2-year PostDoc position available in early 2021. Get in touch!
- General inquiries for research opportunities at the Master's, PhD and PostDoc level are always welcome. Contact us via Email!