Centre for Computational Chemistry

The following people are in this group:

Professor Neil Allan Professor of Physical Chemistry Tel. (0117) 928 8308 Tel. (0117) 331 7044 n.l.allan@bristol.ac.uk
Dr Natalie Fey Visiting Fellow; Research Associate Tel. (0117) 3318260 natalie.fey@bristol.ac.uk
Professor Jeremy Harvey Professor in Chemistry Tel. (0117) 954 6991 jeremy.harvey@bristol.ac.uk
Professor Fred Manby Professor of Theoretical Chemistry Tel. (0117) 928 7664 fred.manby@bristol.ac.uk
Professor Adrian Mulholland Professor Tel. (0117) 928 9097 adrian.mulholland@bristol.ac.uk
Dr Matthew Rigby Research Fellow matt.rigby@bristol.ac.uk
Dr Paddy Royall Royal Society University Research Fellow; Royal Society University Research Fellow Tel. (0117) 928 7668 paddy.royall@bristol.ac.uk
Professor Dudley Shallcross Professor Tel. (0117) 928 7796 d.e.shallcross@bristol.ac.uk
Dr David Tew Royal Society University Research Fellow david.tew@bristol.ac.uk

More about this group

The School’s Centre for Computational Chemistry encompasses a very broad spectrum of interests within fundamental and applied theoretical chemistry, including:

method development, in electronic structure theory and reaction dynamics;
computational biochemistry, with a focus on reactivity;
modelling of local, global and planetary atmospheres;
modelling of disordered solids and minerals including thin film growth;
modelling of organic and organometallic structure and reactivity;
statistical mechanics and the study of colloidal dynamics.

All of these activities link strongly with experimental programmes across the whole breadth of the School of Chemistry’s research profile, and engage with other activities in the University, and beyond.