Structure/property relationships in electrocatalysts
Development and application of syncrotron based spectroscopic techniques for operando characterisation of electrocatalysts, electrode structures, and electrochemical interfaces
Development and application of vibrational spectroscopies (IR and Raman) to study electrochemical interfaces and reactions
Development of large-scale electronic structure methods, based on Density Functional Theory within the ONETEP program (onetep.org)
Development of atomistic and multiscale simulation methods for materials using quantum and classical methods, and machine-learned potentials
Application of these simulation methods to discover advanced materials in technologically relevant problems such as batteries, hydrogen fuel cells and drud optimisation
