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Tom Ziegler

Ziegler

Born September 3, 1945 in Copenhagen Denmark.

Professor and Canada Research Chair in Theoretical Inorganic Chemistry, University of Calgary, Alberta, Canada.

CNC-IUPAC Award, Canadian National Committee - IUPAC (1988); Alcan Lecture Award, The Canadian Society for Chemistry (1994); Canada Council Killam Professor (1996-1999); Fellow of the Royal Society of Canada (1997); Fellow of the Royal Danish Academy of Sciences and Letters (2000); Award in Pure and Applied Inorganic Chemistry (CIC) (2000); Catalysis Lecture Award, The Canadian Society of Chemistry (2000); Canada Research Chair (2001); Schrödinger Medal, WATOC (2004); Steacie Award, The Canadian Society of Chemistry (2005); The Lise Meitner-Lectureship Award for 2008, Israel (2008).

Author of:

Over 350 original articles in various international journals.

Important Contributions:

The development of DFT based methods and their application to catalysis involving transition metals. Has contributed with an energy decomposition scheme to the analysis of metal ligand bond strengths including relativistic effects (E.J. Baerends, J.G. Snijders). Developed one of the first DFT based methods utilizing energy gradients for geometry optimization, transition state searches and minimum paths (L. Versluis, L. Fan, L. Deng). Introduced early and fully relativistic DFT-based methods for the calculation of NMR Chemical Shifts (G. Schreckenbach, S.Wolff, E.J.Baerends), Spin-Spin Coupling Constants (J.Autschbach) and g-tensors (G. Schreckenbach, S. Patchkowskii). Most recent developments involve TD-DFT implementations of methods for the simulation of CD (J.Autschbach) and MCD (M.Seth) metal spectra. Has also developed methods based on ab initio molecular dynamics that optimize transition state structures on the free energy surface rather than on the potential energy surface (T. Woo, P. Paul Fleurat ). He has on the application side worked with several companies such as Total, BASF, Bayer, Nova Chemicals, Eastman, Mitsui, Procter&Gamble on the computational design of catalysts for olefin polymerization, functionalization of hydrocarbons, and epoxidation of olefins. Is currently initiating computational research in heterogeneous catalysis involving the gasification of coal and the elementary processes in solid oxide fuel cells.

An obituary can be found at
http://www.iaqms.org/obituary/TomZiegler.pdf.