Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. 2018
  2. Formation of H2-rich iodine-hydrogen compounds at high pressure

    Binns, J., Dalladay-Simpson, P., Wang, M., Ackland, G., Gregoryanz, E. & Howie, R. T., 24 Jan 2018, In: Physical Review B: Condensed Matter and Materials Physics. 97, 2, 6 p., 024111.

    Research output: Contribution to journalArticlepeer-review

  3. 2017
  4. Influence of transition group elements on the stability of the delta- and eta-phase in nickelbase alloys

    Baeker, M., Roesler, J., Hentrich, T. & Ackland, G., 7 Dec 2017, In: Modelling and simulation in materials science and engineering. 26, 1, 15 p., 015005.

    Research output: Contribution to journalArticlepeer-review

  5. Stacking Characteristics of Close Packed Materials

    Loach, C. H. & Ackland, G. J., 17 Nov 2017, In: Physical Review Letters. 119, 20, 5 p., 205701.

    Research output: Contribution to journalArticlepeer-review

  6. Charge density wave in hydrogen at high pressure

    Magdau, I. B. & Ackland, G. J., 7 Nov 2017, In: Journal of Physics: Conference Series. 950, 042058.

    Research output: Contribution to journalArticlepeer-review

  7. No experimental Fermi surface measurements have been reported or made on low-temperature martensitic lithium

    Martinez-Canales, M., Loa, I. & Ackland, G. J., 17 Oct 2017, In: Proceedings of the National Academy of Sciences (PNAS). 114, 42, p. E8809-E8809 1 p.

    Research output: Contribution to journalLetterpeer-review

  8. Hydrogenation induced carrier mobility polarity reversal in single layer AlN

    Ackland, G. & Zong, H., 27 Sep 2017, In: Physica Status Solidi (RRL).

    Research output: Contribution to journalArticlepeer-review

  9. When immiscible becomes miscible—Methane in water at high pressures

    Pruteanu, C. G., Ackland, G. J., Poon, W. C. K. & Loveday, J. S., 23 Aug 2017, In: Science Advances. 3, 8, e1700240.

    Research output: Contribution to journalArticlepeer-review

  10. The role of van der Waals and exchange interactions in high-pressure solid hydrogen

    Azadi, S. & Ackland, G. J., 2 Aug 2017, In: Physical chemistry chemical physics. 19, 32, p. 21829-21839 11 p.

    Research output: Contribution to journalArticlepeer-review

  11. Quantum and isotope effects in lithium metal

    Ackland, G. J., Dunuwille, M., Martinez-Canales, M., Loa, I., Zhang, R., Sinogeikin, S., Cai, W. & Deemyad, S., 23 Jun 2017, In: Science. 356, 6344, p. 1254-1259 6 p.

    Research output: Contribution to journalArticlepeer-review

  12. Origin of the abnormal diffusion of transition metal in rutile

    Ackland, G., Zhu, L., Hu, Q-M., Zhou, J. & Sun, Z., 1 Jun 2017, In: Physical Review B: Condensed Matter and Materials Physics. 95, 245201

    Research output: Contribution to journalArticlepeer-review

  13. monteswitch: A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo

    Underwood, T. L. & Ackland, G. J., 1 Jun 2017, In: Computer Physics Communications. 215, p. 204-222 19 p.

    Research output: Contribution to journalArticlepeer-review

  14. Infrared Peak Splitting from Phonon Localization in Solid Hydrogen

    Magdău, I. B. & Ackland, G. J., 7 Apr 2017, In: Physical Review Letters. 118, 14, 145701.

    Research output: Contribution to journalArticlepeer-review

  15. Simple thermodynamic model for the hydrogen phase diagram

    Magdau, I. B., Marques, M., Borgulya, B. & Ackland, G. J., 13 Mar 2017, In: Physical Review B: Condensed Matter and Materials Physics. 95, 9, 7 p., 094107.

    Research output: Contribution to journalArticlepeer-review

  16. 2016
  17. Development of an interatomic potential for the simulation of Defects, Plasticity and Phase Transformations in Titanium

    Mendelev, M. I., Underwood, T. & Ackland, G., 17 Oct 2016, In: The Journal of Chemical Physics. 145, 15, 11 p., 154102.

    Research output: Contribution to journalArticlepeer-review

  18. Rapid Equilibration by algorithmic quenching the ringing mode in molecular dynamics

    Ackland, G., 23 May 2016, In: MRS Advances. p. 1-9 9 p.

    Research output: Contribution to journalArticlepeer-review

  19. Property trends in simple metals: An empirical potential approach

    Nichol, A. & Ackland, G. J., 2 May 2016, In: Physical Review B. 93, 18, 6 p., 184101.

    Research output: Contribution to journalArticlepeer-review

  20. 2015
  21. Lattice-switch Monte Carlo: the fcc-bcc problem

    Underwood, T. L. & Ackland, G. J., 3 Dec 2015, In: Journal of Physics: Conference Series. 640, 1, 012030.

    Research output: Contribution to journalArticlepeer-review

  22. Theory of high pressure hydrogen, made simple

    Magdau, I. B., Balm, F. & Ackland, G. J., 1 Dec 2015, In: Journal of Physics: Conference Series. 950, 7 p., 042059.

    Research output: Contribution to journalArticlepeer-review

  23. High temperature oxidation resistance in titanium-niobium alloys

    Tegner, B. E., Zhu, L., Siemers, C., Saksl, K. & Ackland, G. J., 15 Sep 2015, In: Journal of alloys and compounds. 643, p. 100-105 6 p.

    Research output: Contribution to journalArticlepeer-review

  24. Transition metal solute interactions with point defects in fcc iron from first principles

    Hepburn, D. J., MacLeod, E. & Ackland, G. J., 13 Jul 2015, In: Physical Review B: Condensed Matter and Materials Physics. 92, 1, 19 p., 014110.

    Research output: Contribution to journalArticlepeer-review

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