Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. Article › Research › Peer-reviewed
  2. 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 (PNAS). p. 13374-13378 5 p.

    Research output: Contribution to journalArticlepeer-review

  3. Crystal Structures of Dense Lithium: A Metal-Semiconductor-Metal Transition

    Marques, M., McMahon, M., Gregoryanz, E., Hanfland, M., Guillaume, C. L., Pickard, C. J., Ackland, G. & Nelmes, R., 1 Mar 2011, In: Physical Review Letters. 106, 9, p. - 4 p., 095502.

    Research output: Contribution to journalArticlepeer-review

  4. Cultural hitchhiking on the wave of advance of beneficial technologies

    Ackland, G. J., Signitzer, M., Stratford, K. & Cohen, M. H., 22 May 2007, In: Proceedings of the National Academy of Sciences (PNAS). 104, 21, p. 8714-8719 6 p.

    Research output: Contribution to journalArticlepeer-review

  5. DEFECT, SURFACE AND DISPLACEMENT-THRESHOLD PROPERTIES OF ALPHA-ZIRCONIUM SIMULATED WITH A MANY-BODY POTENTIAL

    ACKLAND, GJ., WOODING, SJ., BACON, DJ. & Ackland, G., Mar 1995, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 71, 3, p. 553-565 13 p.

    Research output: Contribution to journalArticlepeer-review

  6. Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles

    Klaver, T. P. C., Hepburn, D. J. & Ackland, G. J., 24 May 2012, In: Physical Review B: Condensed Matter and Materials Physics. 85, 17, 23 p., 174111.

    Research output: Contribution to journalArticlepeer-review

  7. Dense tetrahedral structures of compound semiconductor

    CRAIN, J., Piltz, RO., Hatton, PD., Clark, SJ. & Ackland, G., 1995, In: Journal of Physics and Chemistry of Solids. 56, 3-4, p. 495-500 6 p.

    Research output: Contribution to journalArticlepeer-review

  8. 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

  9. Development of an interatomic potential for phosphorus impurities in alpha-iron

    Mendelev, M. I., Srolovitz, D. J., Han, S., Barashev, A. V. & Ackland, G., 14 Jul 2004, In: Journal of Physics: Condensed Matter. 16, 27, p. S2629-S2642 14 p.

    Research output: Contribution to journalArticlepeer-review

  10. Development of an interatomic potential for phosphorus impurities in α-iron

    Ackland, G. J., Mendelev, M. I., Srolovitz, D. J., Han, S. & Barashev, A. V., 2004, In: Journal of Physics: Condensed Matter. 16, 27, p. S2629-S2642

    Research output: Contribution to journalArticlepeer-review

  11. 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

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