HPC central to metal catalysis study

Project team members Scott Hoh, Chris Lee and David Willock

Dr David Willock is a senior lecturer in Physical Chemistry at Cardiff University. Dr Willock's group work with the Cardiff Catalysis Institute, to study how metals supported on oxides operate as catalysts for the chemicals and automotive industries. Dr Willock claims this study has only been made possible thanks to HPC Wales’ facilities:

“High performance computing is central to our work. HPC Wales support staff have provided us with essential training, and the excellent technical assistance means that the required parallel software has been implemented efficiently. We receive rapid help with day-to-day problems through the email help desk.

“The infrastructure is now very stable and we are regularly running 240 core jobs that allow us to consider system sizes that contain hundreds of atoms, so we can include the complexity of surface, metal particles and reactants. The interaction with staff has been excellent and very helpful.”