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Theory and computation forms a major area of research activity within the Department of Chemistry.  The group is active in developing the theory and application of methods such as density functional theory, ab initio quantum chemistry, statistical mechanics and classical simulation methods.  There is also a strong interest in the application of these methods to problems of chemical interest, and strong collaborations exist between all members of the theory and computational group and experimentalists within the Chemistry Department.

The following individuals have research programmes which involve a substantial computational component.

CSC contact

Other Academic Staff

Professor Peter Taylor

Department of Chemistry
University of Warwick
Coventry, CV4 7AL
Tel:- +44 (0)24 7652 2754
Fax:- +44 (0)24 7652 3258

P. Mark Rodger 
Tiffany Walsh
Robert Deeth
Alessandro Troisi