The development and application of computational and theoretical tools for understanding processes of biological interest, principally at the molecular level.
- Enhanced quantum chemical (QC) and molecular mechanical (MM) potentials.
- Hybrid QC/MM potentials for studying chemical reactions in solution and in enzymes.
- Methods for exploring transition processes in complex systems.
- Enzymatic reaction mechanisms.
- Mechanistic studies of hydrogen-evolving and water-splitting catalysts.
- Conformational transitions, ligand-binding and ligand-diffusion in proteins.
- Simulation of self-assembly and self-organization processes.
Email Martin Field for further information about research, for possible graduate and post-doctoral positions in the group and for reprints.