Collaborations and top research areas from the last five years
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Acceleration of the CASINO quantum Monte Carlo software using graphics processing units and OpenACC
Thorpe, B., Smith, M. J., Hasnip, P. J. & Drummond, N. D., Feb 2026, In: Computer Physics Communications. 319, 1, 16 p., 109900.Research output: Contribution to journal › Article › peer-review
Open Access -
Atomic-scale observation of vacancy ordering in magnetite nanoparticles
Nedelkoski, Z., Sharp, P. M., do Nascimento, J. A., Lari, L., Hasnip, P., Majetich, S., Ramasse, Q. M., Kepaptsoglou, D. & Lazarov, V. K., 1 Apr 2026, In: Ultramicroscopy. 282, 114332.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Beating the Egg-box Effect in Plane-Wave DFT Simulations
Durham, B., Probert, M. & Hasnip, P. J., 7 May 2025, In: Electronic Structure. 7, 17 p., 025004.Research output: Contribution to journal › Article › peer-review
Open AccessFile
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CASTEP
HASNIP, P. (Principal investigator), BYRNE, P. J. P. (Co-investigator) & Probert, M. (Co-investigator)
1/03/26 → 28/02/28
Project: Research project (funded) › Research
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GPU Acceleration of Phonon Calculations with CASTEP
HASNIP, P. (Principal investigator) & Smith, M. J. (Co-investigator)
1/04/25 → 31/03/27
Project: Research project (funded) › Research
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UKRI Living Benchmarks: skills to maximise the value of Digital Research Infrastructure investments
HASNIP, P. (Principal investigator)
1/12/24 → 31/03/27
Project: Research project (funded) › Research
Activities
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CASTEP Training Workshop
Hasnip, P. J. (Invited speaker) & Byrne, P. J. P. (Invited speaker)
15 Sept 2024 → 20 Sept 2024Activity: Talk or presentation › Workshop
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CASTEP Developer Workshop
Hasnip, P. J. (Organiser)
20 Aug 2019 → 23 Aug 2019Activity: Participating in or organising an event › Seminar/workshop/course
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CASTEP Training Workshop
Hasnip, P. J. (Invited speaker) & Byrne, P. J. P. (Invited speaker)
19 Aug 2019 → 23 Aug 2019Activity: Talk or presentation › Workshop
Datasets
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Addressing Ill-conditioning in Density Functional Theory for Reliable Machine Learning
HASNIP, P. (Contributor), HODGSON, M. (Contributor) & Arnstein, L. (Creator), University of York, 17 Feb 2026
DOI: 10.15124/be174a35-5ae0-4758-85f1-d21d7cffdeba
Dataset
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Input files for Cr2AlN
Karaca, E. (Creator), Byrne, P. J. P. (Creator), Hasnip, P. J. (Creator) & Probert, M. (Creator), University of York, 10 Oct 2022
DOI: 10.15124/85422e07-e03d-49f9-81e1-eccea2943796
Dataset
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Input files for Li-Al-B
Hussain, M. (Creator), Donaldson, S. (Creator), Karaca, E. (Creator), Byrne, P. J. P. (Creator), Hasnip, P. J. (Creator) & Probert, M. (Creator), University of York, 1 Jul 2024
DOI: 10.15124/f7a8d4f7-2f7b-4992-a84d-3dbeec36b995
Dataset