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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 water remediation and treatment

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

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 6 Similar Profiles
Metals Chemical Compounds
Adsorption Chemical Compounds
Ligands Chemical Compounds
Xylenes Chemical Compounds
Methane Chemical Compounds
metals Physics & Astronomy
Isomers Chemical Compounds
adsorption Physics & Astronomy

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Projects 2017 2020

Research Output 2011 2018

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
Carbon Monoxide
dicarboxylic acids
6 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., 12 Apr 2018, In : Nature Communications. 9, 1, 1429.

Research output: Contribution to journalArticle

Open Access
13 Citations (Scopus)

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
2 Citations (Scopus)

The right isotherms for the right reasons? Validation of generic force fields for prediction of methane adsorption in metal-organic frameworks

Lennox, M. J., Bound, M., Henley, A. & Besley, E., 2017, In : Molecular Simulation. 43, 10-11, p. 828-837

Research output: Contribution to journalArticle

Open Access
Force Field
field theory (physics)
8 Citations (Scopus)

Ultra-large supramolecular coordination cages composed of endohedral Archimedean and Platonic bodies

Byrne, K., Zubair, M., Zhu, N., Zhou, X., Fox, D. S., Zhang, H., Twamley, B., Lennox, M. J., Düren, T. & Schmitt, W., 9 May 2017, In : Nature Communications. 8, 15268.

Research output: Contribution to journalArticle

Open Access
Binding Sites
Transmission Electron Microscopy