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Publications
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.. card:: Torsional flexibility in zinc–benzenedicarboxylate metal–organic frameworks (2024)
    :link: https://pubs.rsc.org/en/content/articlelanding/2024/ce/d3ce01078c

    .. image:: ../_static/visualisations/crystengcomm_2024.gif
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    Emily G. Meekel, Thomas C. Nicholas, Ben Slater and Andrew L. Goodwin

    *CrystEngComm*, **26**, 673–680 (2024)


.. card:: Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks (2023)
    :link: https://pubs.rsc.org/en/content/articlelanding/2023/cc/d3cc02265j

    .. image:: ../_static/visualisations/chem_commun_2023.gif
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    Zoé Faure Beaulieu, Thomas C. Nicholas, John L. A. Gardner, Andrew L. Goodwin and  Volker L. Deringer

    *Chem. Commun.*, **59**, 11405–11408 (2023)


.. card:: Visualization and Quantification of Geometric Diversity in Metal–Organic Frameworks (2021)
    :link: https://pubs.acs.org/doi/10.1021/acs.chemmater.1c02439

    .. image:: ../_static/visualisations/chem_mater_2021.jpeg
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        :width: 200px
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    Thomas C. Nicholas, Eugeny V. Alexandrov, Vladislav A. Blatov, Alexander P. Shevchenko, Davide M. Proserpio, Andrew L. Goodwin, and Volker L. Deringer

    *Chem. Mater.*, **33**, 8289–8300 (2021)



.. card:: Understanding the geometric diversity of inorganic and hybrid frameworks through structural coarse-graining (2020)
    :link: https://pubs.rsc.org/en/content/articlelanding/2020/sc/d0sc03287e

    .. image:: ../_static/visualisations/chem_sci_2020.png
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    Thomas C. Nicholas, Andrew L. Goodwin, Volker L. Deringer

    *Chem. Sci.*, **11**, 12580–12587 (2020)