John McGrady

Tutor in Chemistry; Professor in Computational Inorganic Chemistry


John McGrady was awarded a BA in Chemistry from the University of Oxford and a PhD from the Australian National University. He is currently Professor of Computational Inorganic Chemistry and a Fellow of New College.


John covers all aspects of Inorganic Chemistry at New College.

Research Interests

The aim of computational chemistry is to use theoretical tools to explain the structure and properties of molecules. We are involved in a wide range of activities, from the analysis of fundamental problems in chemical bonding to the in-silico design of new catalysts.

Selected Publications 

  • Electronic structure of metal-metal bonds
  • Encyclopedia of Inorganic Chemistry, 2009. 
  • Efficient spin filtering through cobalt-based extended metal atom chains
  • Inorg. Chem, 2010, 49(12), 5591- 5597. 
  • Agostic interactions in alkyl complexes of niobium
  • Coord. Chem. Rev., 2009, 253, 635.