Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB

    Clark, SJ., Adam, CJ., Ackland, GJ. & Crain, J., 1997, In: Molecular Crystals and Liquid Crystals Science and Technology - Section A: Molecular Crystals and Liquid Crystals. 299, p. 39-44 6 p.

    Research output: Contribution to journalArticlepeer-review

  2. Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles

    Adam, C. J., Clark, S. J., Ackland, G. J. & Crain, J., 1997, In: Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics. 55, 5 A, p. 5641-5649 9 p.

    Research output: Contribution to journalArticlepeer-review

  3. Constrained dynamics and extraction of normal modes from ab initio molecular dynamics: Application to ammonia

    Siddick, M. M., Ackland, G. & Morrison, C. A., 14 Aug 2006, In: The Journal of Chemical Physics. 125, 6, 19 p., 064707.

    Research output: Contribution to journalArticlepeer-review

  4. Controlling Radiation Damage

    Ackland, G., 26 Mar 2010, In: Science. 327, 5973, p. 1587-1588 2 p.

    Research output: Contribution to journalEditorialpeer-review

  5. 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

  6. Covid-19: Modelling the pandemic

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

    Research output: Contribution to journalComment/debate

  7. 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

  8. Crystal structures and shape-memory behaviour of NiTi

    Huang, X. Y., Ackland, G. & Rabe, K. M., May 2003, In: Nature Materials. 2, 5, p. 307-311 5 p.

    Research output: Contribution to journalLetterpeer-review

  9. 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. 104, 21, p. 8714-8719 6 p.

    Research output: Contribution to journalArticlepeer-review

  10. 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

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