Thomas Keal

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​​​​​​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 CCPB​​i​oSim 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.​