Staff Lead researchers Professor Graeme Day Professor of Chemical Modelling Research interests crystal structure prediction materials discovery computational chemistry Connect with Graeme Email: [email protected] 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 learned potentials by active learning from organic crystal structure prediction landscapes Patrick Walter Villers Butler, Roohollah Hafizi & Graeme M. Day, 2024, Journal of Physical Chemistry A, 128(5), 945–957 DOI: 10.1021/acs.jpca.3c07129 Type: article