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Murgatroyd, Philip AE, Routledge, Kieran, Durdy, Samantha, Gaultois, Michael W ORCID: 0000-0003-2172-2507, Surta, T Wesley ORCID: 0000-0002-2882-6483, Dyer, Matthew S ORCID: 0000-0002-4923-3003, Claridge, John B ORCID: 0000-0003-4849-6714, Savvin, Stanislav N, Pelloquin, Denis, Hebert, Sylvie et al (show 1 more authors) (2021) Chemically Controllable Magnetic Transition Temperature and Magneto-Elastic Coupling in MnZnSb Compounds. ADVANCED FUNCTIONAL MATERIALS, 31 (17). p. 2100108.


Durdy, Samantha ORCID: 0000-0003-3742-2306 (2023) Frameworks for Utilising Computational Knowledge: Studying, Harnessing and Improving Techniques for Materials Property Prediction. PhD thesis, University of Liverpool.


Durdy, Samantha ORCID: 0000-0003-3742-2306, Hargreaves, Cameron J, Dennison, Mark, Wagg, Benjamin, Moran, Michael, Newnham, Jon A ORCID: 0000-0002-8408-7232, Gaultois, Michael W ORCID: 0000-0003-2172-2507, Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 and Dyer, Matthew S ORCID: 0000-0002-4923-3003 (2023) The Liverpool materials discovery server: a suite of computational tools for the collaborative discovery of materials. Digital Discovery, 2 (5). pp. 1601-1611.


Petuya, Remi ORCID: 0000-0002-3118-6966, Durdy, Samantha, Antypov, Dmytro ORCID: 0000-0003-1893-7785, Gaultois, Michael W ORCID: 0000-0003-2172-2507, Berry, Neil G ORCID: 0000-0003-1928-0738, Darling, George R ORCID: 0000-0001-9329-9993, Katsoulidis, Alexandros P ORCID: 0000-0003-0860-7440, Dyer, Matthew S ORCID: 0000-0002-4923-3003 and Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 (2022) Machine-Learning Prediction of Metal-Organic Framework Guest Accessibility from Linker and Metal Chemistry. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 61 (9). e202114573-.


Pétuya, Rémi ORCID: 0000-0002-3118-6966, Durdy, Samantha, Antypov, Dmytro ORCID: 0000-0003-1893-7785, Gaultois, Michael W ORCID: 0000-0003-2172-2507, Berry, Neil G ORCID: 0000-0003-1928-0738, Darling, George R ORCID: 0000-0001-9329-9993, Katsoulidis, Alexandros P ORCID: 0000-0003-0860-7440, Dyer, Matthew S ORCID: 0000-0002-4923-3003 and Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 (2022) Machine‐Learning Prediction of Metal–Organic Framework Guest Accessibility from Linker and Metal Chemistry. Angewandte Chemie, 134 (9).


Durdy, Samantha ORCID: 0000-0003-3742-2306, Gaultois, Michael W ORCID: 0000-0003-2172-2507, Gusev, Vladimir V ORCID: 0000-0002-2815-607X, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 (2022) Random projections and kernelised leave one cluster out cross validation: universal baselines and evaluation tools for supervised machine learning of material properties. Digital Discovery, 1 (6). pp. 763-778.

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