Ian Henderson WILLIAMS

I have over 30 years experience in the application of computational methods to the study of problems of chemical and biochemical reactivity, with particular focus upon the transition state, environmental effects on mechanisms, the origins of catalysis, and the interpretation of kinetic isotope effects.

Higher Education:

1971-74   University of Sheffield: B.Sc. (1st class honours + Haworth Medal) in Chemistry (1974)

1974-77   University of Sheffield: Ph.D. (1978) + Turner Research Prize in Chemistry (1979)

Academic Positions:

1977-78   University of Sheffield:     SRC postdoc in physical organic chemistry

1978-80   University of Kansas:      NIH PDRA in bio-organic chemical dynamics and quantum chemistry

1980-85   University of Cambridge:  Royal Society Pickering Research Fellowship

1985-89   University of Bristol:        SERC Advanced Fellowship

1989-91   University of Bath:          Lecturer in Organic Chemistry

1991-94   University of Bath:          Reader in Physical Organic Chemistry

1995-      University of Bath:          Professor of Theoretical Organic Chemistry

Professional Memberships:

Fellow of the Royal Society of Chemistry and Chartered Chemist

American Chemical Society

World Association of Theoretically Oriented Chemists

Selected Recent Research Grants:

2002  £112K    EPSRC ROPA: Computational investigation of vibrational entropy in enzymatic catalysis

2003    £60K    EPSRC/Johnson Matthey: Computational modelling of catalytic processes

2004  £110K    CEC Marie Curie: Can QM/MM calculations reproduce experimental isotope effects?

2005  £261K    BBSRC: Computational model for sialidase and sialosyltransferase mechanism

2006  £260K    EPSRC: A computational framework for interpretation of kinetic isotope effects for organic reactions in solution

2007    £17K    Mizutani Foundation for Glycoscience: The molecular basis of human O-GlcNAse catalysis: theory and experiment

Current Teaching and Administrative Responsibilities:

Teaching of physical organic chemistry to all Years of BSc and MChem

Chair of Natural Sciences Degree Programmes

Faculty of Science Executive Committee and Board of Studies

Recent External Professional Duties:

Chair of RSC Theoretical Chemistry Group Committee

UK representative on EuCheMS Division of Computational Chemistry

EPSRC National Service for Computational Chemistry Software Management Committee

Invited international conference lectures (since 2003):

2003   International Isotope Effects Conference, Uppsala, Sweden;

7th Latin American Conference on Physical Organic Chemistry, Florianopolis, Brazil;

2004   227th American Chemical Society National Meeting, Anaheim, CA;

87th Canadian Chemistry Conference, London, Ontario;

228th American Chemical Society National Meeting, Philadelphia, PA;

MGMS International Meeting: Towards Accurate Calculation of Biomolecular Recognition & Reactivity, Manchester

2005   230th American Chemical Society National Meeting, Washington, DC

         eChemInfo Symposium on Computational Quantum Biochemistry, Basel, Switzerland

2006   FASEB Summer Research Conference on Biological Methylation, Saxtons River, VT

2007   Isotopes 2007, Benicasim, Spain

2008   WATOC08, Sydney, Australia