Personal profile


Personal Chair in Computational Chemistry (2019-)

Reader, University of Edinburgh (2014-2019)

Senior Lecturer , University of Edinburgh (2010-2014)

Royal Society University Research Fellow and Lecturer, University of Edinburgh (2000-2010; part time due to family commitments) 

PDRA, University of Edinburgh (1998-2000).

Ph.D. Structural Chemistry, University of Edinburgh (1998).

Post-graduate certificate in Education, University of Strathclyde (1994). 

BSc Hons (1st Class) Chemistry University of Strathclyde, (1993).




My research in a nutshell

When experimental methods yield only partial results it is the role of theory to complete the story. The central aim of our research group is to exploit the synergistic relationship that exists between computation and experiment.


Current Research Interests

  1. Developing computational screening capacities for energetic materials.
  2. Modelling the assembly of complex aggregates in the solution phase to better understand the mode of action behaviour of solvent extraction reagents.
  3. Exploring stucture property relationships - modelling the response of molecular crystalline materials to the application of heat, pressure and light.


I am a personal tutor for around 50 undergraduate students, and lecture a number of core subjects in the senior years of our degree programmes. My courses include molecular symmetry, introduction to computational chemistry, and structure and dynamics.

Administrative Roles

Head of Inorganic Chemistry (2019-)



Research group website:

Education/Academic qualification

Doctor of Philosophy (PhD), University of Edinburgh

Award Date: 1 Jan 1998


  • QD Chemistry
  • Computational modelling


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