Skip to main content

Chemistry Computational Surface Chemistry – Maurer Group

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.

Video of the Month

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

More details here.

Research Opportunities

  • PostDoc Opportunity available for autumn 2018 start. Click here!
  • General inquiries for research opportunities at the Master's, PhD and PostDoc level are always welcome. Contact us via Email!


Mon 01 Oct '18
The year starts with 6 new group members. Welcome!

Joining as PhD students, we welcome Billal Sohail, Martin Lea, Sam Hall, and Michael Luya. The last three return after their MSc projects.

We further welcome 2 new MChem students: Joe Green and Tim Lafosse.

Looking forward to an exciting academic year!