I am a Principal Scientist in the Computational Chemistry Group at Daresbury Laboratory with responsibility for hybrid quantum mechanical/molecular mechanical (QM/MM) methods. I lead the team developing the
ChemShell multiscale computational chemistry environment and DL-FIND geometry optimisation library, as well as applying the software to problems in biomolecular modelling and materials chemistry in collaboration with academic groups across the UK and overseas. I also manage CoSeC's support for the
Materials Chemistry Consortium and
CCPBioSim research communities.
I was a Chemistry undergraduate at Durham University, and studied for my PhD there under the supervision of David Tozer, where I developed new exchange-correlation functionals for DFT calculations. Following my PhD I spent three years in Walter Thiel's group at the MPI für Kohlenforschung in Mülheim an der Ruhr, Germany, where I worked on excited state methods for biological systems, before moving to Paul Sherwood's group at Daresbury to continue working on QM/MM development and applications.
For a list of my publications please see my
Google Scholar listing.