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Dr Claire Hobday

Christina Miller Research Fellow

Room 214

University of Edinburgh
Joseph Black Building
David Brewster Road

Research Interests

Structure-property relationships, materials chemistry, high-pressure crystallography, computational chemistry.

Research Overview

The Hobday group is interested in finding new greener materials via a data driven approach for energy and heat applications.

We do this by means of a broad range of physical and computational techniques.

High-pressure crystallography: This technique allows us to probe the response of a material to an external force. We can understand the strength of molecular interactions, mechanical properties and see new phases of materials.

Computational chemistry: We use the full scale of computational techniques available to us: from molecular mechanics to higher levels of theory such as density functional theory. This allows us to tackle specific challenges of materials chemistry.


  • "Tuning the Swing Effect by Chemical Functionalisation of Zeolitic Imidazolate Frameworks" Hobday, C. L.; Bennett, T. D.; Fairen-Jimenez, D.; Graham, A. J.; Allan, D. R.; Düren, T.; Morrison, C. A.; Moggach, S. A.; J. Am. Chem. Soc., 2018, 140, 1, 382. DOI:10.1021/jacs.7b10897
  • "Understanding the adsorption process of small molecules in ZIF-8 using high pressure crystallography and computational modelling" Hobday, C. L.; Woodall, C.; Frost, M.; Kamenev, K.; Düren, T.; Morrison, C. A.; Moggach, S. A.; Nat. Commun. 2018, 9, 1429. DOI:10.1038/s41467-018-03878-6
  • “A computational and experimental approach linking disorder, high-pressure behavior, and mechanical properties in UiO frameworks” Hobday, C. L.; Marshall, R. J.; Murphie, C. F.; Sotelo, J.; Richards, T.; Allan, D. R.; Düren, T.; Coudert, F.-X.; Forgan, R. S.; Morrison, C. A.; Moggach, S. A.; Bennett, T. D., Angew. Chem. Int. Ed. 2016, 55 (7), 2401. DOI:10.1002/anie.201509352