I study chemistry, combining experimental and computational data to understand how molecules react and how their structures affect their properties. This information can be used to design new processes for making complex molecules, and to predict the behaviour of molecules that no one has yet made. The results can help design new pharmaceuticals, by suggesting what to make, how to make it, and to pre-empt possible problems. The same understanding of molecular phenomena also has implications for making soup. I am also secretary of the IUPAC's subcommittee on the International Chemical Identifier (InChI), which works on algorithms for naming molecules.

My website has resources for doing calculations on chemical questions and some databases of chemical information.

Department webpage