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Personal profile

Research interests

My research uses computer simulation to explore the behaviour of molecules in confined spaces and the design of nanoporous and nanocomposite materials for adsorption-based separation and sensing technologies. Current research areas include:

Metal-organic frameworks (MOFs) in aqueous and humid environments - stability, structure and adsorption

Nanoporous materials for air and water remediation

MOFs in healthcare technologies - stability, diagnositics, and drug delivery

MOF-polymer nanocomposites - compatibility and strucural characterisation

Education/Academic qualification

Molecular Simulation and Adsorption, Doctor of Philosophy, University of Edinburgh

Chemical Engineering, Master of Engineering, University of Edinburgh


  • QD Chemistry
  • TP Chemical technology

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Research Output

Enhancement of CO2 Uptake and Selectivity in a Metal–Organic Framework by the Incorporation of Thiophene Functionality

Bolotov, V. A., Kovalenko, K. A., Samsonenko, D. G., Han, X., Zhang, X., Smith, G. L., Mcormick, L. J., Teat, S. J., Yang, S., Lennox, M. J., Henley, A., Besley, E., Fedin, V. P., Dybtsev, D. N. & Schröder, M., 7 May 2018, In : Inorganic Chemistry. 57, 9, p. 5074-5082 9 p.

Research output: Contribution to journalArticle

Open Access
  • 9 Citations (Scopus)

    Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

    Hobday, C., Woodall, C. H., Lennox, M. J., Frost, M., Kamenev, K., Düren, T., Morrison, C. A. & Moggach, S. A., 1 Dec 2018, In : Nature Communications. 9, 1, p. 1-9 9 p., 1429 (2018).

    Research output: Contribution to journalArticle

    Open Access
  • 32 Citations (Scopus)
    56 Downloads (Pure)

    Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks

    Moreau, F., Kolokolov, D. I., Stepanov, A. G., Easun, T. L., Dailly, A., Lewis, W., Blake, A. J., Nowell, H., Lennox, M. J., Besley, E., Yang, S. & Schröder, M., 21 Mar 2017, In : Proceedings of the National Academy of Sciences of the United States of America. 114, 12, p. 3056-3061 6 p.

    Research output: Contribution to journalArticle

    Open Access
  • 26 Citations (Scopus)
    127 Downloads (Pure)