The project will involve working with a diverse team of experts towards improved catalytic conversion of CO2 to valuable products.

Catalytic conversion of CO2 is a complicated process involving transport of reactants and products, charge and energy transfer, and reactions at the catalytic site. It is a multiscale process in size and timescale, and involves various phases and interfaces.

Computational methods provide a unique way of probing the process to provide key information that can be used to achieve efficient CO2 conversion. This project provides an opportunity for students and postdoctoral research fellows to work within a team to develop a comprehensive model of the catalytic process using computational methods.

Projects are available that focus on the transport processes, modelling the reaction or the reaction-diffusion process. Opportunities also exist to develop new techniques to solve this challenging problem.