publications
journal articles and preprints
2025
The structure and topology of an amorphous metal–organic framework
T. C. Nicholas, D. F. Thomas du Toit, L. A. M. Rosset, D. M. Proserpio, A. L. Goodwin, V. L. Deringer · arXiv (2025)
When can we trust structural models derived from pair distribution function measurements?
P. M. Maffettone, W. J. K. Fletcher, T. C. Nicholas, V. L. Deringer, J. R. Allison, L. J. Smith, A. L. Goodwin · Faraday Discussions 255, 311–324 (2025)
2024
Geometrically frustrated interactions drive structural complexity in amorphous calcium carbonate
T. C. Nicholas, A. E. Stones, A. Patel, F. M. Michel, R. J. Reeder, D. G. A. L. Aarts, V. L. Deringer, A. L. Goodwin · Nature Chemistry 16, 36–41 (2024)
Torsional flexibility in zinc–benzenedicarboxylate metal–organic frameworks
E. G. Meekel, T. C. Nicholas, B. Slater, A. L. Goodwin · CrystEngComm 26, 673–680 (2024)
2023
Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks
Z. Faure Beaulieu, T. C. Nicholas, J. L. A. Gardner, A. L. Goodwin, V. L. Deringer · Chemical Communications 59, 11405–11408 (2023)
2021
Visualization and quantification of geometric diversity in metal–organic frameworks
T. C. Nicholas, E. V. Alexandrov, V. A. Blatov, A. P. Shevchenko, D. M. Proserpio, A. L. Goodwin, V. L. Deringer · Chemistry of Materials 33, 8289–8300 (2021)
Intermediate range order in metal–ammonia solutions: pure and Na-doped Ca–NH3
T. C. Nicholas, T. F. Headen, J. C. Wasse, C. A. Howard, N. T. Skipper, A. G. Seel · Journal of Physical Chemistry B 125, 7456–7461 (2021)
2020
Understanding the geometric diversity of inorganic and hybrid frameworks through structural coarse-graining
T. C. Nicholas, A. L. Goodwin, V. L. Deringer · Chemical Science 11, 12580–12587 (2020)