Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

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  1. 1997

  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 journal › Article › peer-review

  3. Elastic instabilities in crystals from ab initio stress-strain relations

    Karki, B. B., Ackland, G. J. & Crain, J., 1997, In: Journal of Physics: Condensed Matter. 9, 41, p. 8579-8589 11 p.

    Research output: Contribution to journal › Article › peer-review

  4. Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures

    Karki, BB., Stixrude, L., Clark, SJ., Warren, MC., Ackland, GJ. & Crain, J., 1997, In: American Mineralogist. 82, 5-6, p. 635-638 4 p.

    Research output: Contribution to journal › Article › peer-review

  5. Electronic structure calculations of liquid crystal molecules: Application to chiral solutes

    Clark, S. J., Ackland, G. J. & Crain, J., 1997, p. 166-170. 5 p.

    Research output: Contribution to conference › Other

  6. High-pressure simulations of atom-vacancy solid solution

    Fuks, D., Dorfman, S. & Ackland, G., 1997, In: Defect and Diffusion Forum. 143, p. 161-164 4 p.

    Research output: Contribution to journal › Article › peer-review

  7. High-pressure simulations of atom-vacancy solid solution

    Fuks, D., Dorfman, S. & Ackland, G., 1997, TRANS TECH PUBLICATIONS LTD. 4 p.

    Research output: Book/Report › Book

  8. Properties of liquid crystal molecules from first principles computer simulation

    Clark, S. J., Adam, C. J., Ackland, G. J., White, J. & Crain, J., 1997, In: Molecular Crystals and Liquid Crystals. 22, 4, p. 469-475 7 p.

    Research output: Contribution to journal › Article › peer-review

  9. Soft-mode phase transitions from first principles

    Ackland, G. J. & Warren, M. C., 1997, In: Phase transitions. 61, 1-4 SEC. B, p. 215-223 9 p.

    Research output: Contribution to journal › Article › peer-review

  10. Structure and elasticity of MgO at high pressure

    Karki, B. B., Stixrude, L., Clark, S. J., Warren, M. C., Ackland, G. J. & Crain, J., 1997, In: American Mineralogist. 82, 1-2, p. 51-60 10 p.

    Research output: Contribution to journal › Article › peer-review

  11. 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 journal › Article › peer-review

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