PhD research student in the Cardiff Catalysis Institute, specialising in computational chemistry. Thesis explores the effects of additives on the catalytic behaviour of zeolites through a specific case study.
Graduate from Durham University with a First Class MChem Chemistry degree. Masters research project assessed various methods of the calculation of Negative Electron Affinities using Density Functional Theory, supervised by Prof David J Tozer.
Tuning Zeolite Catalysts using Organic Additives
Using computer modelling techniques to determine the role and effects of additives on the catalytic behaviour of zeolites through a specific reaction case study.
Quantum chemical computer modelling techniques used in the project include Density Functional Theory, Molecular Dynamics and Metadynamics.