I am a second year PhD student in the Computational Chemistry, Biomaterials and Interfaces modelling group as part of the school of Food Science & Nutrition. My skills lie primarily in theoretical/computational chemistry. I obtained an MChem from Cardiff University and during my time at Cardiff I had the opportunity to engage in two research projects in the field of computational chemisty and first principles modelling. I have experience in multiconfigurational quantum chemistry and the simulation of photodissociation phenomena as well as Density-Functional Theory based calculations applied to molecular systems linked to health and disease.
My research involves the application of quantum chemical calculations, based on Density-Functional Theory (DFT), to study the structural chemistry of bacterial biofilm extracellular matrix (ECM) components. In particular, my research interest involve:
- Constructing molecular models of bacterial biofilm extracellular matrices.
- Elucidating the stabilisation effects during ECM exposure to cations.
- Elucidating matrix-molecule interactions in search of given molecular functionality that aids in deeper penetration into the ECM.
- MChem (1st class, Hons)