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PhD position available for October 2018 start. Click here!

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.

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Video of the Month

Azobenzene desorption from a silver surface involves complex dynamics determined by molecule-metal van-der-Waals interactions!

More details here.

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Research Opportunities

  • A fully funded PhD Opening is available for October 2018 start! Find more information here.
  • General inquiries for research opportunities at the Master's, PhD and PostDoc level are always welcome. Contact us via Email!

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