Prof Michael Buehl

Prof Michael Buehl


Researcher profile

+44 (0)1334 46 7235



PhD 1992 Erlangen (P. v. R. Schleyer); 1992-1993 Postdoc University of Georgia (USA), Athens  (H. F. Schaefer III); 1993-1999 Institute of Organic Chemistry (Oberassistent), University of Zürich; Habilitation 1998, Zürich; 1999-2007 Max-Planck-Institut für Kohlenforschung, Mülheim/Ruhr; since 2008 Chair of Computational Chemistry at the University of St. Andrews.


First- and second year tutorials in Physical Chemistry

Workshop on symmetry (3rd year)

Lab courses on Computational Chemistry (3rd and 4th year)

Lectures on quantum-chemical electronic structure calculations (4th and 5th year), including distance lesarning

Research areas

We apply  the tools of computational quantum chemistry to study a variety of chemical and biochemical systems and their properties, focussing on transition-metal and f-element chemistry, homogeneous and bio-catalysis, and NMR properties. State-of-the-art methods are employed, mostly rooted in density-functional theory (DFT), including quantum-mechanical/molecular-mechanical (QM/MM) calculations and first-principles molecular dynamics simulations. Read more.

PhD supervision

  • Aniekan Ekpenyong Owen
  • Alister Goodfellow
  • Edoardo Fusco
  • Benedict Connaughton

Selected publications


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