Enabling the combination of computational and experimental O-17 NMR spectroscopy for the study of local structure, disorder and dynamics in inorganic solids with Prof. S. E. Ashbrook (U. of St Andrews). Leader on computational aspects of multidisciplinary project, applying and developing computational tools for structure generation, ab initio computation and high-throughput analysis computed datasets. Delivering a series of lectures and training sessions on computational theory, methodologies and practices within the research group. Teaching in undergraduate tutorials and project supervision.

Computational studies of TM-NHC complexes with Prof. S. A. Macgregor.Main collaboration with Prof. M. K. Whittlesey (U. of Bath): EPSRC funded project “Unusual Reactions of Ruthenium N-heterocyclic Carbene Complexes” investigating homogeneous hydrodefluorination catalysis (3 publications).Book chapter reviewing state-of-the-art computational organometallic chemistry.Collaboration with Prof. M. S. Hill (U. of Bath) on organometallic Be chemistry.Collaboration with Dr. V. Grushin (ICIQ, Tarragona) on activation of haloarenes in homogeneous catalysis (1 publication).Personal collaboration with Prof. A. J. Welch (HWU) on computational heteroborane studies (3 publications).Systems administrator of HPC clusters used by the Macgregor group, advisor on specification and procurement of equipment within budgetary constraints. Design, setup and maintenance of computational chemistry teaching systems.Installation and upkeep of remote access system (50+ users).Responsible for introduction of new software technologies to the group, including licensing, compiling, installation and testing.Teaching in undergraduate tutorials and final year project supervision.Consulting on the use of mobile devices in a molecular modelling challenge run on a schools engagement project.

Computational f-element chemistry with Prof. L. Maron.Main collaboration with Prof. F. G. N. Cloke (U. of Sussex): ERC funded project on “The Reductive Transformation of Carbon Oxides”.Further collaborations with Prof. Polly L. Arnold (U. of Edinburgh) and Prof. Philippe Kalck (U. de Toulouse).