Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. Article › Research › Peer-reviewed
  2. Calculation of free energies from ab initio calculation

    Ackland, GJ., 25 Mar 2002, In: Journal of Physics: Condensed Matter. 14, 11, p. 2975-3000 26 p., PII S0953-8984(02)27809-1.

    Research output: Contribution to journalArticlepeer-review

  3. Catastrophic desert formation in Daisyworld

    Clark, M. A., Lenton, T. M. & Ackland, G., 7 Jul 2003, In: Journal of Theoretical Biology. 223, 1, p. 39-44 6 p.

    Research output: Contribution to journalArticlepeer-review

  4. 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

  5. Comparison of bonding in amorphous silicon and carbon

    Clark, S. J., Crain, J. & Ackland, G. J., 1 Jun 1997, In: Physical Review B: Condensed Matter and Materials Physics. 55, 21, p. 14059-14062 4 p.

    Research output: Contribution to journalArticlepeer-review

  6. Compression mechanisms in quasimolecular XI3 (X = As, Sb, Bi) solids

    Hsueh, H. C., Chen, R. K., Vass, H., Clark, S. J., Ackland, G., Poon, W. & Crain, J., 1 Dec 1998, In: Physical Review B: Condensed Matter and Materials Physics. 58, 22, p. 14812-14822 11 p.

    Research output: Contribution to journalArticlepeer-review

  7. Computational analysis of the high-pressure structures of InSb

    Kelsey, A. A. & Ackland, G. J., 2000, In: Journal of Physics: Condensed Matter. 12, 32, p. 7161-7173 13 p.

    Research output: Contribution to journalArticlepeer-review

  8. Computer simulation of point defect properties in dilute Fe-Cu alloy using a many-body interatomic potential

    Ackland, G. J., Bacon, D. J., Calder, A. F. & Harry, T., Mar 1997, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 75, 3, p. 713-732 20 p.

    Research output: Contribution to journalArticlepeer-review

  9. 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

  10. 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

  11. 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

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