Michael Bühl is a professor of Computational and Theoretical Chemistry in the School of Chemistry,

University of St. Andrews The University of St Andrews (, ; abbreviated as St And in post-nominals) is a public university in St Andrews, Scotland. It is the oldest of the four ancient universities of Scotland and, following the universities of Oxford and Cambridge, t ...

. He has published work on the performance of various density functionals, modelling thermal and medium effects, transition-metal

NMR Nuclear magnetic resonance (NMR) is a physical phenomenon in which atomic nucleus, nuclei in a strong constant magnetic field are disturbed by a weak oscillating magnetic field (in the near and far field, near field) and respond by producing ...

of metalloenzymes, modelling of

homogeneous catalysis In chemistry, homogeneous catalysis is catalysis where the catalyst is in same phase as reactants, principally by a soluble catalyst in a solution. In contrast, heterogeneous catalysis describes processes where the catalysts and substrate are in d ...

, and

molecular dynamics Molecular dynamics (MD) is a computer simulation method for analyzing the Motion (physics), physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamics ( ...

of transition metal complexes.

Biography

Bühl was born in 1962. He earned his PhD at the

University of Erlangen-Nuremberg A university () is an institution of tertiary education and research which awards academic degrees in several academic disciplines. ''University'' is derived from the Latin phrase , which roughly means "community of teachers and scholars". Univ ...

's Institute for Organic Chemistry (Institut für organische Chemie), where his thesis advisor was

Paul von Ragué Schleyer Paul von Ragué Schleyer (February 27, 1930 – November 21, 2014) was an American physical organic chemist whose research is cited with great frequency. A 1997 survey indicated that Dr. Schleyer was, at the time, the world's third most cited ch ...

. In 1992, he worked as a post-doctoral researcher with Henry F. Schaefer III (

University of Georgia The University of Georgia (UGA or Georgia) is a Public university, public Land-grant university, land-grant research university with its main campus in Athens, Georgia, United States. Chartered in 1785, it is the oldest public university in th ...

). He was an Oberassistent at the Institute of Organic Chemistry,

University of Zürich The University of Zurich (UZH, ) is a public university, public research university in Zurich, Switzerland. It is the largest university in Switzerland, with its 28,000 enrolled students. It was founded in 1833 from the existing colleges of the ...

between 1993 and 1999. In 1999, he also worked at Max-Planck-Institut für Kohlenforschung,

Mülheim Mülheim, officially Mülheim an der Ruhr (, ; ; ) and also described as ''"City on the River"'', is a city in North Rhine-Westphalia in western Germany. It is located in the Ruhr Area between Duisburg, Essen, Oberhausen and Ratingen. It is ho ...

. He was on the faculty at the

from 1998 to 2000 and then at

University of Wuppertal The University of Wuppertal (''Universität Wuppertal'') is a German scientific institution located in Wuppertal in the state of North Rhine-Westphalia, Germany. The university's official name in German is ''Bergische Universität Wuppertal'' ...

from 2000 to 2008. He is Chair of Computational Chemistry at the

since 2008.

Research interests

Bühl's group applies 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 Homogeneity and heterogeneity are concepts relating to the uniformity of a substance, process or image. A homogeneous feature is uniform in composition or character (i.e., color, shape, size, weight, height, distribution, texture, language, i ...

and bio-catalysis, and

properties. The methods employed are mostly rooted in

density-functional theory Density functional theory (DFT) is a computational quantum mechanics, quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground sta ...

(DFT), including quantum-mechanical/ molecular-mechanical (

QM/MM The hybrid QM/MM (quantum mechanics/molecular mechanics) approach is a molecular simulation method that combines the strengths of ''ab initio'' QM calculations (accuracy) and MM (speed) approaches, thus allowing for the study of chemical processe ...

) calculations and first-principles

simulations.

References

External links

Buehl's research group
__FORCETOC__ {{DEFAULTSORT:Buhl, Michael Scottish chemists Academics of the University of St Andrews Living people 1962 births Computational chemistry