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Research project

AI for Chemistry: AIchemy

Staff

Lead researchers

Professor Jeremy Frey

Professor of Physical Chemistry
Connect with Jeremy

Email: J.G.Frey@soton.ac.uk

Other 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

Research outputs

Structure and stability prediction of binary and ternary molecular mixed crystals using ensemble free energies
Anthony Payne, Sarah Catarina Madeira & Graeme M. Day, 2026, Crystal Growth & Design
DOI: 10.1021/acs.cgd.6c00999
Type: article