Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. Article › Research › Peer-reviewed
  2. Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

    Malerba, L., Ackland, G., Becquart, C. S., Bonny, G., Domain, C., Dudarev, S. L., Fu, C. -C., Hepburn, D., Marinica, M. C., Olsson, P., Raulot, J. M., Pasianot, R. C., Soisson, F., Terentyev, D., Vincent, E. & Willaime, F., 1 Nov 2010, In: Journal of Nuclear Materials. 406, 1, p. 718 12 p.

    Research output: Contribution to journalArticlepeer-review

  3. Ab initio calculations of the self-interstitial in silicon

    Clark, S. J. & Ackland, G. J., 1 Jul 1997, In: Physical Review B: Condensed Matter and Materials Physics. 56, 1, 4 p., 47.

    Research output: Contribution to journalArticlepeer-review

  4. Ab initio elasticity and lattice dynamics of AgGaSe2

    Karki, B. B., Clark, S. J., Warren, M. C., Hsueh, H. C., Ackland, G. J. & Crain, J., 13 Jan 1997, In: Journal of Physics: Condensed Matter. 9, 2, p. 375-380 6 p.

    Research output: Contribution to journalArticlepeer-review

  5. Ab initio molecular dynamics of liquid carbon disulphide

    Ackland, G. J. & Clark, S. J., 2001, In: Molecular Physics. 99, 10, p. 855-863 9 p.

    Research output: Contribution to journalArticlepeer-review

  6. Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB

    Clark, S. J., Ackland, G. J. & Crain, J., 1998, In: Europhysics Letters. 44, 5, p. 578-584 7 p.

    Research output: Contribution to journalArticlepeer-review

  7. Ab initio simulations in liquid caesium at high pressure and temperature

    Falconi, S. & Ackland, G., May 2006, In: Physical Review B: Condensed Matter and Materials Physics. 73, 18, p. - 7 p., 184204.

    Research output: Contribution to journalArticlepeer-review

  8. Ab initio studies of high-pressure structural transformations in silica

    Karki, B. B., Warren, M. C., Stixrude, L., Ackland, G. J. & Crain, J., 1997, In: Physical Review B: Condensed Matter and Materials Physics. 55, 6, p. 3465-3471 7 p.

    Research output: Contribution to journalArticlepeer-review

  9. Ab initio studies of high-pressure structural transformations in silica (vol 55, pg 3465, 1997)

    Karki, BB., Warren, MC., Stixrude, L., Ackland, GJ. & Crain, J., 1 Aug 1997, In: Physical Review B: Condensed Matter and Materials Physics. 56, 5, p. 2884-2884 1 p.

    Research output: Contribution to journalArticlepeer-review

  10. Ab initio studies of structural instabilities in magnesium silicate perovskite

    Warren, M. C. & Ackland, G. J., Mar 1996, In: Physics and Chemistry of Minerals. 23, 2, p. 107-118 12 p.

    Research output: Contribution to journalArticlepeer-review

  11. 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

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