Phil's Recent Publications

This is a list of my most recent peer-reviewed publications (from 2023 onwards), you can find a full list of publications here.

• “Addressing hypersensitivity in density functional theory for reliable machine learning”, L. Arnstein, J. Wetherell, R. Lawrence, P. J. Hasnip & M. J. P. Hodgson, npj Computational Materials (2026)
• “Acceleration of the CASINO quantum Monte Carlo software using graphics processing units and OpenACC”, B. Thorpe, M. J. Smith, P. J. Hasnip and N. D. Drummond, Comp. Phys. Comm. 319, 109900 (2026)
• “Polar oxide/semiconductor heterojunction: MgO (111)/SiC (0001)”, Julio A. do Nascimento, Daniel Pingstone, Adam Kerriga, Kenta Yoshida, Aleksandar Skeparovski, Katherine S. Ziemer, Yihong Chen, Kelvin H. L. Zhang, Martin Stankovski, Demie Kepaptsoglou, Philip Hasnip, Zlatko Nedelkoski and Vlado K. Lazarov, Appl. Phys. Lett. 127, 101604 (2025)
• “Beating the egg-box effect in plane-wave DFT simulations”, B. Durham, M. I. J. Probert and P. J. Hasnip, Electronic Structure 7(2) (2025)
• “Superconductivity in ordered Li–Al–B compounds”, K. Hussain, S. J. Donaldson, E. Karaca, P. J. P. Byrne, P. J. Hasnip and M. I. J. Probert, Scientific Reports 15 19 (2025)
• “Confined magnon dispersion in ferromagnetic and antiferromagnetic thin films in a second quantization approach: The case of Fe and NiO”, Julio Cesar A. do Nascimento, Adam Kerrigan, Stuart Cavill, Demie Kepaptsoglou, Quentin Ramasse, Phil J. Hasnip and Vlado K. Lazarov, Physical Review B 110(2), 024410 (2024)
• “Nanoscale Si fishbone structures for manipulating heat transport using phononic resonators for thermoelectric applications”, James Lees, Ben Durham, Christopher Reardon, Martha Anderson-Taylor, Matt Probert, Philip Hasnip and Sarah Thompson, Physica Scripta 90(9), 095928 (2023)
• “Cr₂AlN and the search for the highest temperature superconductor in the M₂AX family”, E. Karaca, PJP Byrne, PJ Hasnip and MIJ Probert, Scientific Reports 13(1), 6576 (2023)

Do get in touch if you're interested in any of the above.

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