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Chemistry Computational Surface Science Group

Computational Surface Science Group

PhD students wanted! Please get in touch!

Computational Surface Chemistry and Interface Physics

Our research focuses on the theory and simulation of molecular reactions on surfaces and at interfaces. 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.

Research Opportunities

  • Three fully-funded PhD studentships are available for 2023/2024 entry. Please email us your CV and motivation statement. More information here!
  • Interested in doing a 1-year Master by Research (MRes) degree project? We cover tuition fees for home students!
  • General inquiries for research opportunities at the Master's, PhD and PostDoc level are always welcome. Contact us via Email!