Based in the Department of Chemistry at the University of Bath, the Grayson Group’s research interests are centred around the use of molecular modelling and machine learning to determine the mechanisms of organic and biological reactions. These results are then applied to:

  • The rational design of new synthetic methodology in conjunction with our experimental collaborators to help reduce the need for trial-and-error in reaction discovery.
  • The development of in silico toxicity prediction tools to provide more cost effective, rapid and ethical alternatives to traditional in vivo methods.

Current research areas and selected publications:

  • Organocatalysis (J. Am. Chem. Soc.2016138, 9041.; J. Am. Chem. Soc.2016138, 1170.; J. Am. Chem. Soc. 2013135, 6142.; J. Am. Chem. Soc. 2012134, 2716.)
  • Transition Metal Catalysis (J. Am. Chem. Soc. 2015137, 8838.)
  • Biosynthesis (J. Am. Chem. Soc. 2015137, 11904.)
  • Reaction Dynamics (J. Am. Chem. Soc. 2017139, 7717.)
  • Toxicology

Opportunities in The Grayson Group

PhD, MRes and undergraduate projects are available. If you are interested in these or postdoctoral research positions, please get in touch.