Staff Lead researchers Professor Graeme Day Professor of Chemical Modelling Research interests crystal structure prediction materials discovery computational chemistry Connect with Graeme Email: G.M.Day@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. Research outputs Machine learning methods for analysis of organic molecular crystal structure prediction landscapes 2025 Type: thesis