The UK Car-Parrinello HEC Consortium

Research interests

• 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