Items where authors include "Probert, Matt"
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Lees, James, Durham, Ben, Anderson-Taylor, Martha et al. (4 more authors) (2023) Nanoscale Si fishbone structures for manipulating heat transport using phononic resonators for thermoelectric applications. Physica Scripta. 095928. ISSN 0031-8949
Stenczel, Tamás, El-Machachi, Zakariya, Liepuoniute, Guoda et al. (5 more authors) (2023) Machine-learned acceleration for molecular dynamics in CASTEP. Journal of Chemical Physics. 044803. ISSN 1089-7690
Karaca, Ertugrul, Byrne, Peter John Phares, Hasnip, Philip James orcid.org/0000-0002-4314-4093 et al. (1 more author) (2023) Cr2AlN and the search for the highest temperature superconductor in the M2AX family. Scientific Reports. 6576. ISSN 2045-2322
Lawrence, Robert Anthony, Probert, Matt orcid.org/0000-0002-1130-9316 and Donaldson, Scott (2023) Magnetic Transition State Searching : Beyond the Static Ion Approximation. Magnetochemistry. 42. ISSN 2312-7481
Karaca, Ertugrul, Byrne, Peter John Phares, Hasnip, Philip James orcid.org/0000-0002-4314-4093 et al. (1 more author) (2022) Prediction of phonon-mediated superconductivity in new Ti-based M2AX phases. Scientific Reports. 13198. ISSN 2045-2322
Bauer, Maximilian, Probert, Matt orcid.org/0000-0002-1130-9316 and Panosetti, Chiara (2022) Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions. Journal of Physical Chemistry A. pp. 3043-3056. ISSN 1089-5639
Keal, Thomas, Elena, Alin-Marin, Stoneham, Karen et al. (11 more authors) (2022) Materials and Molecular Modelling at the Exascale. Computing in Science & Engineering. pp. 36-45. ISSN 1558-366X
O'Grady, Kevin Dermot orcid.org/0000-0002-4837-3709, Sinclair, John, Elphick, Kelvin et al. (4 more authors) (2020) Anisotropy in antiferromagnets. Journal of Applied Physics. 040901. ISSN 1089-7550
Shepherd, Jack, Greenall, Robert James orcid.org/0000-0002-0922-1243, Probert, Matt orcid.org/0000-0002-1130-9316 et al. (2 more authors) (2020) The emergence of sequence-dependent structural motifs in stretched, torsionally 2 constrained DNA. Nucleic Acids Research. gkz1227. 1748–1763. ISSN 0305-1048
Naydenov, Genadi, Hasnip, Philip orcid.org/0000-0002-4314-4093, Lazarov, Vlado orcid.org/0000-0002-4314-6865 et al. (1 more author) (2019) Effective modelling of the Seebeck coefficient of Fe2VAl. Journal of physics : Condensed matter. 125401. ISSN 1361-648X
Chen, Ji, Xin-Zheng, Li, Zhang, Qianfan et al. (5 more authors) (2013) Quantum simulation of low-temperature metallic liquid hydrogen. Nature Communications. 2064. ISSN 2041-1723