Centre for Molecular Design (CMD)

Tim Clark

Professor Tim Clark

Professor in Computational Chemistry

Pharmacy and Biomedical Sciences

Centre for Molecular Design
Mercantile House
Hampshire Terrace



Tim Clark studied chemistry at the University of Kent at Canterbury, where he was awarded a first class honours Bachelor of Science in 1970. He obtained his Ph.D. from the Queen’s University Belfast in 1973 after working on the thermochemistry and solid-phase properties of adamantane and diamantane derivatives. After two years as an Imperial Chemical Industries Postdoctoral Fel­low in Belfast, he moved in 1975 to Princeton University as a NATO Postdoctoral Fellow working for Paul Schleyer. He then followed Schleyer to the Institut für Organische Chemie of the Univer­sität Erlangen-Nürnberg in 1976. He is currently Technical Director of the Computer-Chemie-Cen­trum in Erlangen. His research areas include the development and application of quantum me­chanical and classical simulation methods in inorganic, organic and biological chemistry, electron-transfer theory and the simulation of reaction mechanisms, especially enzymatic, and the mecha­nisms of signal-transduction processes. He is the developer of the semiempirical molecular orbital programme VAMP, which is marketed as a compute-engine in Accelrys’ Materials Studio Modelling package and of the surface-property package ParaSurf, which is marketed by Cepos InSilico Ltd., a UK-based software company co-owned by four British and German Universities of which he is a director. In December 2009, a 100% owned subsidiary company, Cepos InSilico GmbH, was founded in Erlangen.

Tim is a Scientific Advisory to Boehringer Ingelheim Pharma AG. He is the author of 306 articles in scientific journals and two books, was among the top 500 most cited chemists in the 1997 compilation and is the founding editor of the Journal of Molecular Modelling and member of the Editorial Board of the International Journal of Quantum Chemistry. He was twice Visiting Associate Professor in the Department of Chemistry of the Uni­versity of Wisconsin, Madison and was named Professor of Computational Chemistry and Director of the Centre for Molecular Design, of Portsmouth University, UK, in October 2008 in addition to his post in Erlangen. He has served as referee for the DFG, SNF (Schweiz), FWF (Österreich), NSF (USA) and the UK Research Councils and as exter­nal Ph.D. examiner for the Universities of Uppsala and Stockholm, The Australian National Univer­sity and Sydney University. He has also served as an adviser to the Department of Quantum Chemistry of the University of Uppsala. He is past president of the Molecular Graphics and Model­ling Society (MGMS), Deutschsprachige Sektion and serves on the committees of both the UK and German chapters of the MGMS.

In 2009 he was awarded the Klaus-Wilhelm-von-der-Lieth Gedächtnismedaille by the Molecular Graphics and Model­ling Society (MGMS), Deutschsprachige Sektion for his contributions to  molecular modelling and to the promotion of young researchers in molecular modelling.

Tim’s research is concentrated on the development of calculational techniques for simulation and cheminformatics and their use for a variety of biological, chemical and materials applications. 

Recent Publications


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