Edinburgh Research Explorer

Prof Graeme Ackland

Chair in Computer Simulation

  1. 2019
  2. Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen

    Geng, H. Y., Wu, Q., Marques, M. & Ackland, G., 8 Oct 2019, (Accepted/In press) In : Physical Review B.

    Research output: Contribution to journalArticle

  3. 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 journalArticle

  4. 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 journalArticle

  5. 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 journalArticle

  6. 2018
  7. 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 journalArticle

  8. Icosahedral (H2)13 supermolecule

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

    Research output: Contribution to journalArticle

  9. 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 journalArticle

  10. Structural and electronic properties of the alkali metal incommensurate phases

    Woolman, G., Naden Robinson, V., Marqués, M., Loa, I., Ackland, G. J. & Hermann, A., 11 May 2018, In : Physical Review Materials. 2, 5, 12 p., 053604.

    Research output: Contribution to journalArticle

  11. 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 journalArticle

  12. 2017
  13. 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 journalArticle

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