Our group investigates inorganic and organometallic reaction systems using computational methods, such as Density Functional Theory (DFT). Interesting structural and energetic features are explored through modelling mechanistic pathways and analysing electronic structure details, in combination with NBO (Natural Bond Orbital) and QTAIM (Quantum Theory of Atoms In Molecules) approaches. 

We collaborate with a wide range of experimental chemists, here at the University of Bath and across the world. Our areas of interest include:

• Main Group Complexes
• Metal Assisted C-H Activation
• Cross-Coupling with Late Transition Metal Complexes
• Group 1 Redox Systems

Our group is also working towards improving computational methodologies to better describe solids (metals, salts) and ions in a solvated reaction system.