Advanced molecular modelling techniques to determine structures and reaction mechanisms of catalytic processes at the atomic level

The Cardiff Catalysis Institute http://www.cardiff.ac.uk/cardiff-catalysis-institute within the School of Chemistry http://www.cardiff.ac.uk/chemistry has a major programme in the field of catalytic science which now makes extensive use of computational modelling techniques. Applications are invited for a PhD studentship in the application of computational techniques in catalytic science chemistry.

The project uses advanced molecular modelling techniques to determine structures and reaction mechanisms of catalytic processes at the atomic level. There will be a strong emphasis on heterogeneous catalysis and the computational project will be closely linked with experiments within Cardiff and elsewhere.

The main interest is to determine the relation between catalysts structure, its environment and catalytic performance in processes such as H2 generation, biomass conversion (energy) and mitigation of environmental hazards.

Academic criteria

Eligible candidates should have, or expect to obtain, a degree in chemistry or a closely related discipline. Highly motivated and dedicated students will gain a thorough training in computational chemistry and materials science and be rewarded with a highly stimulating project that will shape the future of this exciting research program.

Supervisor: Dr Alberto Roldan Martinez http://www.cardiff.ac.uk/people/view/102465-roldan-martinez-alberto

Application deadline: 31st August 2017
We reserve the right to close applications early should sufficient applications be received.

Start date: 1st October 2017