We are developing and applying quantum and classical molecular simulation methods to study:
- Ultrafast non-adiabatic dynamics of charge transport processes
- Electron transfer in biological systems and organic semiconductors
- Redox processes at solid/liquid interfaces
- Transport and binding of small ligands in proteins
May 17 Sharon won the poster prize at the CECAM school 'Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond' for the poster 'Simulation of Pump-Probe Experiment in Small Tetraheme Cytochrome'
May 17 Hui has been selected to present her work at the Royal Society of Chemistry Theoretical Chemistry Group Graduate Student Meeting, Southampton.
Apr 17 Guido and Antoine selected to present their work at the CCP9 Young Researchers Event (Cambridge) and Faraday Joint Interest Group Conference (Warwick), respectively.
Feb 17: Our combined experimental/computational study on the atomistic structure of the hematite/liquid water interface has been published in JACS.
Dec 16: MSc student Oliver Gittus, PhD student Samuele Giannini, Post-doc Zdenek Futera and Peter Cooke join our group - a warm welcome!