Steffen Seiler

 

Research topics

• Study of the sulfuric acid-graphite intercalation compound by means of ab-initio Molecular Dynamics (main project)
• Nitrogen escape mechanism in the endohedral fullerene N@C60 studied by means of Metadynamics and Umbrella Sampling (side project)
• Comparison of PBE and PBE-D2/D3 with CCSD(T)@cbs benchmark calculations for the adsorption energies of small molecules on metal oxide clusters (side project)
• STM image simulations (side project)

• Application of Bardeen’s tunneling formula for the calculation of STM images (Master’s thesis)