Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. 2020
  2. Covid-19: Modelling the pandemic

    Ackland, G. J., 7 Oct 2020, In: British Medical Journal (BMJ). 2 p.

    Research output: Contribution to journalComment/debate

  3. The effect of school closures on COVID mortality: old and new predictions

    Rice, W. K. M., Wynne, B., Martin, V. J. & Ackland, G. J., 7 Oct 2020, In: British Medical Journal (BMJ). 371, m3588.

    Research output: Contribution to journalArticlepeer-review

  4. Understanding high pressure hydrogen with a hierarchical machine-learned potential

    Zong, H., Wiebe, H. & Ackland, G. J., 6 Oct 2020, In: Nature Communications. 11, 5014.

    Research output: Contribution to journalArticlepeer-review

  5. Phase diagram of the frustrated FCC antiferromagnet from effective-field theory

    Ehteshami, H. & Ackland, G., 9 Sep 2020, In: Journal of Physics: Condensed Matter. 32, 38, 385402.

    Research output: Contribution to journalArticlepeer-review

  6. Quantitative rotational to librational transition in dense H2 and D2

    Pena Alvarez, M., Afonina, V., Dalladay-Simpson, P., Liu, X-D., Howie, R. T., Cooke, P., Magdau, I. B., Ackland, G. J. & Gregoryanz, E., 20 Aug 2020, In: The Journal of Physical Chemistry Letters. 11, 16, p. 6626-6631 6 p.

    Research output: Contribution to journalArticlepeer-review

  7. Phase behaviour of the quantum Lennard-Jones solid

    Wiebe, H., Underwood, T. L. & Ackland, G. J., 18 Aug 2020, In: The Journal of Chemical Physics. 153, 7, 074502.

    Research output: Contribution to journalArticlepeer-review

  8. Raman signal from a hindered hydrogen rotor

    Cooke, P. I. C., Magdǎu, I. B., Peña-Alvarez, M., Afonina, V., Dalladay-Simpson, P., Liu, X-D., Howie, R. T., Gregoryanz, E. & Ackland, G. J., 1 Aug 2020, In: Physical Review B. 102, 6, 064102.

    Research output: Contribution to journalArticlepeer-review

  9. Counterintuitive effects of isotopic doping on the phase diagram of H2-HD-D2 molecular alloy

    Liu, X-D., Dalladay-Simpson, P., Howie, R. T., Zhang, H. C., Xu, W., Binns, J., Ackland, G. J., Mao, H-K. & Gregoryanz, E., 16 Jun 2020, In: Proceedings of the National Academy of Sciences. p. 13374-13378 5 p.

    Research output: Contribution to journalArticlepeer-review

  10. Localisation effects on the Vibron Shifts in Helium-Hydrogen Mixtures

    Ramsey, S. B., Pena-Alvarez, M. & Ackland, G. J., 4 Jun 2020, In: Physical Review B. 101, 21, 214306.

    Research output: Contribution to journalArticlepeer-review

  11. Nucleation mechanism for hcp→bcc phase transformation in shock compressed Zr

    Zong, H., Ding, X. & Ackland, G., 22 Apr 2020, In: Physical Review B. 101, 14, 144105.

    Research output: Contribution to journalArticlepeer-review

  12. Structures of solid hydrogen at 300K

    Ackland, G. J. & Loveday, J. S., 18 Mar 2020, In: Physical Review B. 101, 9, 094104.

    Research output: Contribution to journalArticlepeer-review

  13. Quadrupole Arrangements and the Ground State of Solid Hydrogen

    Bund, S. V. D. & Ackland, G. J., 10 Jan 2020, In: Physical Review B. 101, 1, 014103.

    Research output: Contribution to journalArticlepeer-review

  14. 2019
  15. Amorphous mediated commensurate-incommensurate phase transition in dense potassium

    Zhao, L., Zong, H., Ding, X. & Ackland, G., 14 Nov 2019, (Accepted/In press) In: Physical Review B.

    Research output: Contribution to journalArticlepeer-review

  16. Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen

    Geng, H. Y., Wu, Q., Marques, M. & Ackland, G., 28 Oct 2019, In: Physical Review B. 100, 13

    Research output: Contribution to journalArticlepeer-review

  17. On the Chain-Melted Phase of Matter

    Naden robinson, V., Zong, H., Ackland, G., Woolman, G. & Hermann, A., 21 May 2019, In: Proceedings of the National Academy of Sciences.

    Research output: Contribution to journalArticlepeer-review

  18. The Role of Trust in a Self-Organising Pharmaceutical Supply Chain Model with Variable Drug Quality and Imperfect Information

    Ackland, G., Chattoe-Brown, E., Hamill, H., Hampshire, K. R., Mariwah, S. & Mshana, G., 31 Mar 2019, In: Journal of Artificial Societies and Social Simulation.

    Research output: Contribution to journalArticlepeer-review

  19. hcp → ω phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study

    Zong, H., Luo, Y., Ding, X., Lookman, T. & Ackland, G. J., 1 Jan 2019, In: Acta Materialia. 162, p. 126-135 10 p.

    Research output: Contribution to journalArticlepeer-review

  20. 2018
  21. MIST: A Simple and Efficient Molecular Dynamics Abstraction Library for Integrator Development

    Bethune, I., Banisch, R., Breitmoser, E., Collis, A., Gibb, G., Gobbo, G., Matthews, C., Ackland, G. & Leimkuhler, B., 17 Oct 2018, In: Computer Physics Communications.

    Research output: Contribution to journalArticlepeer-review

  22. Icosahedral (H2)13 supermolecule

    Ackland, G. & Martinez-Canales, M., 4 Sep 2018, In: Physical Review Materials. 2, 9

    Research output: Contribution to journalArticlepeer-review

  23. Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning

    Zong, H., Pilania, G., Ding, X., Ackland, G. J. & Lookman, T., 24 Aug 2018, In: npj Computational Materials. 4, 1, 48.

    Research output: Contribution to journalArticlepeer-review

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