Michael Bühl

Michael Bühl is a professor of Computational and Theoretical Chemistry in the School of Chemistry, University of St. Andrews. He has published work on the performance of various density functionals,^[1] modelling thermal and medium effects,^[2][3] transition-metal NMR of metalloenzymes,^[4] modelling of homogeneous catalysis,^{[5][6][7][8][9][10][11]} and molecular dynamics of transition metal complexes.^[12]

Biography

Bühl was born in 1962.

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 and bio-catalysis, and NMR properties. The methods employed are mostly rooted in density-functional theory (DFT), including quantum-mechanical/molecular-mechanical (QM/MM) calculations and first-principles molecular dynamics simulations.^[14][15][16]

References