Edinburgh Research Explorer

Prof Carole Morrison

Personal Chair of Computational Chemistry

Profile photo

Willingness to take PhD students: Yes

Education/Academic qualification

Doctor of Philosophy (PhD), University of Edinburgh


Reader, University of Edinburgh (2014-)

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. Modelling the assembly of complex aggregates in the solution phase to better understand the mode of action behaviour of solvent extraction reagents.
  2. Modelling the framework response of metal organic framework materials to heat, pressure and guest molecule uptake.
  3. Predicting properties of energetic materials.
  4. 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

I am the manager for the Edinburgh component of the EaSTCHEM Research Computing Facility, and the Chair of the Information Systems Management Group for the School of Chemistry.


Research group website: http://www.chem.ed.ac.uk/staff/academic-staff/dr-carole-morrison

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