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

Chemical Engineering, Master of Engineering, University of Edinburgh

Molecular Simulation and Adsorption, Doctor of Philosophy, 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.

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Projects 2017 2018

Research Output 2011 2017

2 Citations

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
Traffic Accidents
Learned Helplessness
Spontaneous Fractures
1 Citations

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
Gas adsorption
Adsorption isotherms

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
Binding sites
Transmission Electron Microscopy
6 Citations

Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal–Organic Framework

Benson, O., da Silva, I., Argent, S. P., Cabot, R., Savage, M., Godfrey, H. G. W., Yan, Y., Parker, S. F., Manuel, P., Lennox, M. J., Mitra, T., Easun, T. L., Lewis, W., Blake, A. J., Besley, E., Yang, S. & Schröder, M. 26 Sep 2016 In : Journal of the American Chemical Society. 138, 45, p. 14828-14831 4 p.

Research output: Contribution to journalArticle

Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal–organic frameworks

Henley, A., Lennox, M. J., Easun, T. L., Moreau, F., Schröder, M. & Besley, E. 8 Dec 2016 In : Journal of Physical Chemistry C. 120, 48, p. 27342-27348 7 p.

Research output: Contribution to journalArticle

Open Access
Binding sites