Staff Lead researchers Professor Chris Skylaris Professor of Computational Chemistry Research interests Development of large-scale electronic structure methods, based on Density Functional Theory w… Development of atomistic and multiscale simulation methods for materials using quantum and cl… Application of these simulation methods to discover advanced materials in technologically rel… Connect with Chris Email: C.Skylaris@soton.ac.uk Collaborating research institutes, centres and groups Computational Systems Chemistry Our research covers a broad range of domains from nanoscale materials properties, atmospheric chemistry, through to biological systems. Digital and Data-Driven Methods We make leading contributions in wide-ranging applications that connect to other important themes in the School of Chemistry and Chemical Engineering, such as materials, catalysis, and health. Research outputs