About
I am a computational scientist specialising in materials modelling and working across a number of research projects focused on designing new functional materials.
The main aim of my research is to understand how materials function at the atomic scale and use this knowledge to design new materials for separation, catalysis, energy storage and other applications. To achieve this we develop predictive computational tools that combine existing chemical knowledge (chemical databases) with computational chemistry (quantum and classical mechanics) and computer science methods (optimisation and machine learning).