Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. Other › Research › Not peer-reviewed
  2. 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 conferenceOther

  3. First principles calculations of defects in unstable crystals: Austenitic iron

    Ackland, G. J., Klaver, T. P. C. & Hepburn, D. J., 2011, p. 55-66. 12 p.

    Research output: Contribution to conferenceOther

  4. Martensitic transformations in 2D Lennard-Jones crystals

    Kastner, O. & Ackland, G. J., 2009, p. 399-403. 5 p.

    Research output: Contribution to conferenceOther

  5. Twinning deformation in martensite microstructure

    Ackland, G. J. & Pinsook, U., 2000, p. 417-422. 6 p.

    Research output: Contribution to conferenceOther

  6. Article › Research › Peer-reviewed
  7. Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials

    Drummond, N. D. & Ackland, G. J., 2002, In: Physical Review B: Condensed Matter and Materials Physics. 65, 14 p., 184104.

    Research output: Contribution to journalArticlepeer-review

  8. A THEORETICAL-STUDY OF PRESSURE EFFECTS ON SELENIUM-I

    CLARK, SJ., ACKLAND, GJ., AKBARZADEH, H. & Ackland, G., 1995, In: Journal of Physics and Chemistry of Solids. 56, 3-4, p. 329-334 6 p.

    Research output: Contribution to journalArticlepeer-review

  9. A dynamic mechanism for retrograde solid solubility

    Ackland, G., Jul 1991, In: Philosophical Magazine Letters. 64, 1, p. 15-19 5 p.

    Research output: Contribution to journalArticlepeer-review

  10. A first principles and mean field investigation of the conformational properties of 5CB

    Adam, CJ., Ferrarini, A., Wilson, MR., Ackland, GJ. & Crain, J., 20 Aug 1999, In: Molecular Physics. 97, 4, p. 541-550 10 p.

    Research output: Contribution to journalArticlepeer-review

  11. A theoretical study of selenium I under high pressure

    Akbarzadeh, H., Clark, S. J. & Ackland, G. J., 25 Oct 1993, In: Journal of Physics: Condensed Matter. 5, 43, p. 8065-8074 10 p.

    Research output: Contribution to journalArticlepeer-review

  12. AN IMPROVED N-BODY SEMIEMPIRICAL MODEL FOR BODY-CENTERED CUBIC TRANSITION-METALS

    ACKLAND, GJ., THETFORD, R. & Ackland, G., Jul 1987, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 56, 1, p. 15-30 16 p.

    Research output: Contribution to journalArticlepeer-review

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  21. 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

  22. 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

  23. An improved N-body semi-empirical model for body-centred cubic transition metals

    Ackland, G. & THETFORD, R., Feb 1987, In: Philosophical magazine. 56, p. 15-30

    Research output: Contribution to journalArticlepeer-review

  24. Applications of local crystal structure measures in experiment and simulation

    Jones, A. P. & Ackland, G., Feb 2006, In: Physical Review B: Condensed Matter and Materials Physics. 73, 5, p. - 7 p., 054104.

    Research output: Contribution to journalArticlepeer-review

  25. Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen

    Ackland, G. & Magdau, I. B., 18 Jun 2015, In: Cogent Physics. 2, 12 p., 1049477.

    Research output: Contribution to journalArticlepeer-review

  26. Atomic-Scale Modeling of the Dynamics of Titanium Oxidation

    Zhu, L., Hu, Q-M., Yang, R. & Ackland, G. J., 15 Nov 2012, In: Journal of Physical Chemistry C. 116, 45, p. 24201-24205 5 p.

    Research output: Contribution to journalArticlepeer-review

  27. Atomistic simulation of shear in a martensitic twinned microstructure

    Pinsook, U. & Ackland, G. J., 2000, In: Physical Review B: Condensed Matter and Materials Physics. 62, 9, p. 5427-5434 8 p.

    Research output: Contribution to journalArticlepeer-review

  28. Binding of an oxide layer to a metal: The Case of Ti(101̅0)/TiO2(100)

    Zhu, L., Hu, Q-M., Yang, R. & Ackland, G. J., 16 Feb 2012, In: Journal of Physical Chemistry C. 116, 6, p. 4224-4233 10 p.

    Research output: Contribution to journalArticlepeer-review

  29. Boom and bust in continuous time evolving economic model

    Ackland, G. & Mitchell, L., Aug 2009, In: European Physical Journal B. 70, 4, p. 567-573 7 p.

    Research output: Contribution to journalArticlepeer-review

  30. Boundaries between Ancient Cultures: Origins and persistence

    Cohen, M. H. & Ackland, G. J., Mar 2012, In: Advances in complex systems. 15, 1-2, 30 p., 1150004.

    Research output: Contribution to journalArticlepeer-review

  31. Calculated energies and relaxations of the low-index planes of ordered Cu3Au

    Wallace, W. E. & Ackland, G. J., 1992, In: Applied Surface Science. 275, 1-2, p. L685-L690

    Research output: Contribution to journalArticlepeer-review

  32. Calculation of anomalous phonons and the hcp-bcc phase transition in zirconium

    Pinsook, U. & Ackland, G. J., 1 Jun 1999, In: Physical Review B: Condensed Matter and Materials Physics. 59, 21, p. 13642-13649 8 p.

    Research output: Contribution to journalArticlepeer-review

  33. 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

  34. 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

  35. 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

  36. 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

  37. 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

  38. 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

  39. 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

  40. 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

  41. 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

  42. 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

  43. 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

  44. 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

  45. 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

  46. 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

  47. 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

  48. 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

  49. 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

  50. 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

  51. 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

  52. 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

  53. Development of an interatomic potential for the simulation of phase transformations in zirconium

    Mendelev, M. I. & Ackland, G., 2007, In: Philosophical Magazine Letters. 87, 5, p. 349-359 11 p.

    Research output: Contribution to journalArticlepeer-review

  54. Development of new interatomic potentials appropriate for crystalline and liquid iron

    Mendelev, M. I., Han, S., Srolovitz, D. J., Ackland, G., Sun, D. Y. & Asta, M., 11 Dec 2003, In: Philosophical magazine. 83, 35, p. 3977-3994 18 p.

    Research output: Contribution to journalArticlepeer-review

  55. Devil's staircase in kinetically limited growth

    Ackland, GJ., Oct 2002, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 66, 4, 4 p., 041605.

    Research output: Contribution to journalArticlepeer-review

  56. Dynamic overshoot in alpha-iron by atomistic simulations

    Machova, A. & Ackland, GJ., Sep 1998, In: Modelling and simulation in materials science and engineering. 6, 5, p. 521-542 22 p.

    Research output: Contribution to journalArticlepeer-review

  57. Dynamic overshoot in α-iron by atomistic simulations

    Machová, A. & Ackland, G. J., 1998, In: Modelling and simulation in materials science and engineering. 6, 5, p. 521-542 22 p.

    Research output: Contribution to journalArticlepeer-review

  58. Dynamics of bond-diluted Ising magnets

    Hawick, K. A., Poon, WC-K. & Ackland, G. J., Feb 1992, In: Journal of Magnetism and Magnetic Materials. 104-107, PART 1, p. 423-424 2 p.

    Research output: Contribution to journalArticlepeer-review

  59. Effect of Fe segregation on the migration of a non-symmetric Sigma 5 tilt grain boundary in Al

    Mendelev, M. I., Srolovitz, D. J., Ackland, G. & Han, S., Jan 2005, In: Journal of Biomedical Materials Research Part A. 20, 1, p. 208-218 11 p.

    Research output: Contribution to journalArticlepeer-review

  60. Effects of local interaction and dispersal on the dynamics of size-structured populations

    Adams, T., Ackland, G., Marion, G. & Edwards, C., 24 Apr 2011, In: Ecological Modelling. 222, 8, p. 1414-1422 9 p.

    Research output: Contribution to journalArticlepeer-review

  61. Efficacious calculation of Raman spectra in high pressure hydrogen

    Ackland, G. J. & Magdau, I. B., Jun 2014, In: High Pressure Research. 34, 2, p. 198-204 7 p.

    Research output: Contribution to journalArticlepeer-review

  62. 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 journalArticlepeer-review

  63. 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 journalArticlepeer-review

  64. Embrittlement and the bistable crystal structure of zirconium hydride

    Ackland, GJ., 9 Mar 1998, In: Physical Review Letters. 80, 10, p. 2233-2236 4 p.

    Research output: Contribution to journalArticlepeer-review

  65. Embrittlement and the bistable crystal structure of zirconium hydride - Ackland replies

    Ackland, GJ., 12 Oct 1998, In: Physical Review Letters. 81, 15, p. 3301-3301 1 p.

    Research output: Contribution to journalArticlepeer-review

  66. Emergent patterns in space and time from daisyworld: a simple evolving coupled biosphere-climate model

    Ackland, G. J. & Wood, A. J., 13 Jan 2010, In: Philosophical Transactions A: Mathematical, Physical and Engineering Sciences. 368, 1910, p. 161-179 19 p.

    Research output: Contribution to journalArticlepeer-review

  67. Equation of state of solid nickel aluminide

    Swift, D. C., Paisley, D. L., McClellan, K. J. & Ackland, G. J., Oct 2007, In: Physical Review B: Condensed Matter and Materials Physics. 76, 13, p. - 15 p., 134111.

    Research output: Contribution to journalArticlepeer-review

  68. Equipartition and ergodicity in closed one-dimensional systems of hard spheres with different masses

    Ackland, G. J., 1993, In: Physical Review E. 47, 5, p. 3268-3275 8 p.

    Research output: Contribution to journalArticlepeer-review

  69. Erratum: Tetrahedral structures and phase transitions in III-V semiconductors (Phys. Rev. B (1994) 50, (8389))

    Crain, J., Piltz, R. O., Ackland, G. J., Clark, S. J., Payne, M. C., Milman, V., Lin, J. S., Hatton, P. D. & Nam, Y. H., 1995, In: Physical Review B. 52, 23, p. 16936 1 p.

    Research output: Contribution to journalArticlepeer-review

  70. Europium-IV: An Incommensurately Modulated Crystal Structure in the Lanthanides

    Husband, R., Loa, I., Stinton, G., Evans, S., Ackland, G. & Mcmahon, M., 31 Aug 2012, In: Physical Review Letters. 109, 9, 5 p., 095503.

    Research output: Contribution to journalArticlepeer-review

  71. Evolving the selfish herd: emergence of distinct aggregating strategies in an individual-based model

    Wood, A. J. & Ackland, G. J., 7 Jul 2007, In: Proceedings of the Royal Society B-Biological Sciences. 274, 1618, p. 1637-1642 6 p.

    Research output: Contribution to journalArticlepeer-review

  72. Experimental and theoretical study of Ti-6Al-4V to 220 GPa

    MacLeod, S. G., Tegner, B. E., Cynn, H., Evans, W. J., Proctor, J. E., McMahon, M. I. & Ackland, G. J., 7 Jun 2012, In: Physical Review B: Condensed Matter and Materials Physics. 85, 22, 7 p., 224202.

    Research output: Contribution to journalArticlepeer-review

  73. First-principles equations of state for simulations of shock waves in silicon

    Swift, D. C., Ackland, G. J., Hauer, A. & Kyrala, G. A., 2001, In: Physical Review B: Condensed Matter and Materials Physics. 64, 21, p. 2141071-21410714 19269644 p.

    Research output: Contribution to journalArticlepeer-review

  74. First-principles study of helium, carbon, and nitrogen in austenite, dilute austenitic iron alloys, and nickel

    Hepburn, D. J., Ferguson, D., Gardner, S. & Ackland, G. J., 22 Jul 2013, In: Physical Review B: Condensed Matter and Materials Physics. 88, 2, 26 p., 024115.

    Research output: Contribution to journalArticlepeer-review

  75. First-principles study of the structural energetics of PdTi and PtTi

    Huang, X. Y., Rabe, K. M. & Ackland, G. J., 1 Jan 2003, In: Physical Review B: Condensed Matter and Materials Physics. 67, 2, p. - 8 p., 024101.

    Research output: Contribution to journalArticlepeer-review

  76. First-principles thermodynamics of transition metals: W, NiAl, and PdTi

    Huang, X. Y., Rabe, K. M. & Ackland, G., Dec 2003, In: Physical Review B: Condensed Matter and Materials Physics. 68, 21, p. - 7 p., 214104.

    Research output: Contribution to journalArticlepeer-review

  77. Formation of H2-rich iodine-hydrogen compounds at high pressure

    Binns, J., Dalladay-Simpson, P., Wang, M., Ackland, G., Gregoryanz, E. & Howie, R. T., 24 Jan 2018, In: Physical Review B: Condensed Matter and Materials Physics. 97, 2, 6 p., 024111.

    Research output: Contribution to journalArticlepeer-review

  78. Free energy of crystalline solids: A lattice-switch Monte Carlo method

    Bruce, A. D., Wilding, N. B. & Ackland, G. J., 20 Oct 1997, In: Physical Review Letters. 79, 16, p. 3002-3005 4 p.

    Research output: Contribution to journalArticlepeer-review

  79. High pressure instrumentation: Low and negative pressures

    Dunstan, DJ., Van Uden, NWA. & Ackland, GJ., Jun 2002, In: High Pressure Research. 22, 3-4, p. 773-778 6 p.

    Research output: Contribution to journalArticlepeer-review

  80. High temperature oxidation resistance in titanium-niobium alloys

    Tegner, B. E., Zhu, L., Siemers, C., Saksl, K. & Ackland, G. J., 15 Sep 2015, In: Journal of alloys and compounds. 643, p. 100-105 6 p.

    Research output: Contribution to journalArticlepeer-review

  81. High-pressure effects in the layered semiconductor germanium selenide

    Hsueh, HC., Vass, H., Clark, SJ., CRAIN, J. & Ackland, G., 15 Jun 1995, In: Physical Review B: Condensed Matter and Materials Physics. 51, 23, p. 16750-16760 11 p.

    Research output: Contribution to journalArticlepeer-review

  82. High-pressure phases of group IV and III-V semiconductors

    Ackland, G. J., 2001, In: Reports on Progress in Physics. 64, 4, p. 483-516 34 p.

    Research output: Contribution to journalArticlepeer-review

  83. High-pressure semiconductor-semimetal transition in TiS2

    Allan, D. R., Kelsey, A. A., Clark, S. J., Angel, R. J. & Ackland, G. J., 1 Mar 1998, In: Physical Review B: Condensed Matter and Materials Physics. 57, 9, p. 5106-5110 5 p.

    Research output: Contribution to journalArticlepeer-review

  84. 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 journalArticlepeer-review

  85. How Efficiently Do Three Pointlike Particles Sample Phase Space?

    Cox, S. G. & Ackland, G. J., 2000, In: Physical Review Letters. 84, 11, p. 2362-2365 4 p.

    Research output: Contribution to journalArticlepeer-review

  86. Hydrogenation induced carrier mobility polarity reversal in single layer AlN

    Ackland, G. & Zong, H., 27 Sep 2017, In: Physica Status Solidi (RRL).

    Research output: Contribution to journalArticlepeer-review

  87. Icosahedral (H2)13 supermolecule

    Ackland, G. & Martinez-Canales, M., 4 Sep 2018, In: Physical Review Materials. 2, 9

    Research output: Contribution to journalArticlepeer-review

  88. Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics

    Magdau, I. B. & Ackland, G. J., 23 May 2013, In: Physical Review B: Condensed Matter and Materials Physics. 87, 17, 8 p., 174110.

    Research output: Contribution to journalArticlepeer-review

  89. Income and poverty in a developing economy

    Chattopadhyay, A. K., Ackland, G. & Mallick, S. K., Sep 2010, In: Europhysics Letters. 91, 5, p. - 6 p., 58003.

    Research output: Contribution to journalArticlepeer-review

  90. Influence of transition group elements on the stability of the delta- and eta-phase in nickelbase alloys

    Baeker, M., Roesler, J., Hentrich, T. & Ackland, G., 7 Dec 2017, In: Modelling and simulation in materials science and engineering. 26, 1, 15 p., 015005.

    Research output: Contribution to journalArticlepeer-review

  91. Infrared Peak Splitting from Phonon Localization in Solid Hydrogen

    Magdău, I. B. & Ackland, G. J., 7 Apr 2017, In: Physical Review Letters. 118, 14, 145701.

    Research output: Contribution to journalArticlepeer-review

  92. Interaction between metallic p orbitals and the π orbitals of organic molecules: The binding between ethylene and aluminum

    King, E. M., Clark, S. J., Verdozzi, C. F. & Ackland, G. J., 2001, In: Journal of Physical Chemistry B. 105, 3, p. 641-645 5 p.

    Research output: Contribution to journalArticlepeer-review

  93. Interatomic forces and atomic structure of grain boundaries in copper-bismuth alloys

    Yan, M., Ob, M., Luzzi, D. E., Vitek, V., Ackland, G. J., Methfessel, M. & Rodriguez, C. O., 1993, In: Physical Review B. 47, 10, p. 5571-5582 12 p.

    Research output: Contribution to journalArticlepeer-review

  94. Interatomic potential for vanadium suitable for radiation damage simulations

    Han, S. W., Zepeda-Ruiz, L. A., Ackland, G., Car, R. & Srolovitz, D. J., 15 Mar 2003, In: Journal of applied physics. 93, 6, p. 3328-3335 8 p.

    Research output: Contribution to journalArticlepeer-review

  95. Interpretation of cluster structures in terms of covalent bonding

    Ackland, G., 15 Aug 1991, In: Physical Review B: Condensed Matter and Materials Physics. 44, 8, p. 3900-3908 9 p.

    Research output: Contribution to journalArticlepeer-review

  96. Lattice Dynamics of Dense Lithium

    Gorelli, F. A., Elatresh, S. F., Guillaume, C. L., Marques, M., Ackland, G. J., Santoro, M., Bonev, S. A. & Gregoryanz, E., 30 Jan 2012, In: Physical Review Letters. 108, 5, 5 p., 055501.

    Research output: Contribution to journalArticlepeer-review

  97. Lattice-switch Monte Carlo method

    Bruce, A. D., Jackson, A. N., Ackland, G. J. & Wilding, N. B., Jan 2000, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 61, 1, p. 906-919 14 p.

    Research output: Contribution to journalArticlepeer-review

  98. Lattice-switch Monte Carlo method: Application to soft potentials

    Jackson, AN., Bruce, AD. & Ackland, GJ., Mar 2002, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 65, 3, 12 p., 036710.

    Research output: Contribution to journalArticlepeer-review

  99. Lattice-switch Monte Carlo method: Application to soft potentials

    Jackson, A. N., Bruce, A. D. & Ackland, G. J., 2002, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 65, 3, p. 036710/1-036710/12

    Research output: Contribution to journalArticlepeer-review

  100. Lattice-switch Monte Carlo simulation for binary hard-sphere crystals

    Jackson, A. N. & Ackland, G., Dec 2007, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 76, 6, p. - 10 p., 066703.

    Research output: Contribution to journalArticlepeer-review

  101. Lattice-switch Monte Carlo: the fcc-bcc problem

    Underwood, T. L. & Ackland, G. J., 3 Dec 2015, In: Journal of Physics: Conference Series. 640, 1, 012030.

    Research output: Contribution to journalArticlepeer-review

  102. Local size segregation in polydisperse hard sphere fluids

    Pagonabarraga, I., Cates, M. E. & Ackland, G. J., 31 Jan 2000, In: Physical Review Letters. 84, 5, p. 911-914 4 p.

    Research output: Contribution to journalArticlepeer-review

  103. Localisation effects on the Vibron Shifts in Helium-Hydrogen Mixtures

    Ramsey, S. B., Pena-Alvarez, M. & Ackland, G. J., 4 Jun 2020, In: Physical Review B. 101, 21, 214306.

    Research output: Contribution to journalArticlepeer-review

  104. MANY-BODY POTENTIALS AND ATOMIC-SCALE RELAXATIONS IN NOBLE-METAL ALLOYS

    Ackland, G. & VITEK, V., 15 May 1990, In: Physical Review B: Condensed Matter and Materials Physics. 41, 15, p. 10324-10333 10 p.

    Research output: Contribution to journalArticlepeer-review

  105. MANY-BODY POTENTIALS FOR CU-TI INTERMETALLIC ALLOYS AND A MOLECULAR-DYNAMICS STUDY OF VITRIFICATION AND AMORPHIZATION

    KULP, DT., SOB, M., VITEK, N. V., EGAMI, T. & Ackland, G., Apr 1993, In: Modelling and simulation in materials science and engineering. 1, 3, p. 315-333 19 p.

    Research output: Contribution to journalArticlepeer-review

  106. MIST: A Simple and Efficient Molecular Dynamics Abstraction Library for Integrator Development

    Bethune, I., Banisch, R., Breitmoser, E., Collis, A., Gibb, G., Gobbo, G., Matthews, C., Ackland, G. & Leimkuhler, B., 17 Oct 2018, In: Computer Physics Communications.

    Research output: Contribution to journalArticlepeer-review

  107. Magnetically induced immiscibility in the ising model of FeCr stainless steel

    Ackland, G., 7 Jul 2006, In: Physical Review Letters. 97, 1, p. - 4 p., 015502.

    Research output: Contribution to journalArticlepeer-review

  108. Mass-radius Relationships for Exoplanets

    Swift, D. C., Eggert, J. H., Hicks, D. G., Hamel, S., Caspersen, K., Schwegler, E., Collins, G. W., Nettelmann, N. & Ackland, G., 1 Jan 2012, In: Astrophysical Journal. 744, 1, p. - 10 p., 59.

    Research output: Contribution to journalArticlepeer-review

  109. Maximisation Principles and Daisyworld

    Ackland, G. J., 23 Jul 2003, In: Journal of Theoretical Biology. 227, 121

    Research output: Contribution to journalArticlepeer-review

  110. Maximization principles and daisyworld

    Ackland, G., 7 Mar 2004, In: Journal of Theoretical Biology. 227, 1, p. 121-128 8 p.

    Research output: Contribution to journalArticlepeer-review

  111. Mechanism for radiation damage resistance in yttrium oxide dispersion strengthened steels

    Brodrick, J., Hepburn, D. J. & Ackland, G. J., 1 Feb 2014, In: Journal of Nuclear Materials. 445, 1-3, p. 291-297 7 p.

    Research output: Contribution to journalArticlepeer-review

  112. Mesoscale kinetics produces martensitic microstructure

    Kastner, O. & Ackland, G. J., Jan 2009, In: Journal of the mechanics and physics of solids. 57, 1, p. 109-121 13 p.

    Research output: Contribution to journalArticlepeer-review

  113. Metallic-covalent interatomic potential for carbon in iron

    Hepburn, D. J. & Ackland, G. J., Oct 2008, In: Physical Review B: Condensed Matter and Materials Physics. 78, 16, p. - 6 p., 165115.

    Research output: Contribution to journalArticlepeer-review

  114. Microscopic model of diffusion limited aggregation and electrodeposition in the presence of leveling molecules

    Tweedie, E. S. & Ackland, G., Jan 2006, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 73, 1, p. - 5 p., 011606.

    Research output: Contribution to journalArticlepeer-review

  115. Molecular dynamics and object kinetic Monte Carlo study of radiation-induced motion of voids and He bubbles in bcc iron

    Galloway, G. J. & Ackland, G. J., 12 Mar 2013, In: Physical Review B: Condensed Matter and Materials Physics. 87, 10, 6 p., 104106.

    Research output: Contribution to journalArticlepeer-review

  116. Molecular dynamics simulation study of microstructure evolution during cyclic martensitic transformations

    Kastner, O., Eggeler, G., Weiss, W. & Ackland, G. J., Sep 2011, In: Journal of the mechanics and physics of solids. 59, 9, p. 1888-1908 21 p.

    Research output: Contribution to journalArticlepeer-review

  117. Molecular dynamics simulations of compression–tension asymmetry in plasticity of Fe nanopillars

    Healy, C. J. & Ackland, G. J., 15 May 2014, In: Acta Materialia. 70, p. 105-112 8 p.

    Research output: Contribution to journalArticlepeer-review

  118. Molecular dynamics simulations of the martensitic phase transition process

    Ackland, G. J., Jones, A. P. & Noble-Eddy, R., 25 May 2008, In: Materials science and engineering a-Structural materials properties microstructure and processing. 481, p. 11-17 7 p.

    Research output: Contribution to journalArticlepeer-review

  119. Mutation of albedo and growth response produces oscillations in a spatial Daisyworld

    Wood, A. J., Ackland, G. & Lenton, T. M., 7 Sep 2006, In: Journal of Theoretical Biology. 242, 1, p. 188-198 11 p.

    Research output: Contribution to journalArticlepeer-review

  120. Nature and stability of ice X

    Marques, M., Ackland, G. & Loveday, J., 2009, In: High Pressure Research. 29, 2, p. 208-211 4 p.

    Research output: Contribution to journalArticlepeer-review

  121. Nucleation mechanism for hcp→bcc phase transformation in shock compressed Zr

    Zong, H., Ding, X. & Ackland, G., 22 Apr 2020, In: Physical Review B. 101, 14, 144105.

    Research output: Contribution to journalArticlepeer-review

  122. Observation of the oP8 crystal structure in potassium at high pressure

    Lundegaard, L. F., Marques, M., Stinton, G., Ackland, G., Nelmes, R. & McMahon, M., Jul 2009, In: Physical Review B: Condensed Matter and Materials Physics. 80, 2, p. - 4 p., 020101.

    Research output: Contribution to journalArticlepeer-review

  123. On the Chain-Melted Phase of Matter

    Naden robinson, V., Zong, H., Ackland, G., Woolman, G. & Hermann, A., 21 May 2019, In: Proceedings of the National Academy of Sciences (PNAS).

    Research output: Contribution to journalArticlepeer-review

  124. On the stability of random cubic alloys in the framework of pair potentials

    VITEK, V. & Ackland, G., Aug 1990, In: Philosophical magazine b-Physics of condensed matter statistical mechanics electronic optical and magnetic properties. 62, 2, p. 149-158 10 p.

    Research output: Contribution to journalArticlepeer-review

  125. Ordered sigma-type phase in the Ising model of Fe-Cr stainless steel

    Ackland, G., Mar 2009, In: Physical Review B: Condensed Matter and Materials Physics. 79, 9, p. - 6 p., 094202.

    Research output: Contribution to journalArticlepeer-review

  126. Origin of incommensurate modulations in the high-pressure phosphorus IV phase

    Marques, M., Ackland, G., Lundegaard, L. F., Falconi, S., Hejny, C., McMahon, M., Contreras-Garcia, J. & Hanfland, M., Aug 2008, In: Physical Review B: Condensed Matter and Materials Physics. 78, 5, p. - 9 p., 054120.

    Research output: Contribution to journalArticlepeer-review

  127. Origin of the abnormal diffusion of transition metal in rutile

    Ackland, G., Zhu, L., Hu, Q-M., Zhou, J. & Sun, Z., 1 Jun 2017, In: Physical Review B: Condensed Matter and Materials Physics. 95, 245201

    Research output: Contribution to journalArticlepeer-review

  128. Origin of the complex crystal structures of elements at intermediate pressure

    Macleod, I. R. & Ackland, G., 25 Oct 2004, In: New Journal of Physics. 6, p. - 10 p., 138.

    Research output: Contribution to journalArticlepeer-review

  129. Pack formation in cycling and orienteering

    Ackland, G., 13 Sep 2001, In: Nature. 413, 1, p. 127 1 p.

    Research output: Contribution to journalArticlepeer-review

  130. Paramagnetic and glass transitions in sudoku

    Williams, A. & Ackland, G. J., 7 Sep 2012, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 86, 3, 3 p., 031109.

    Research output: Contribution to journalArticlepeer-review

  131. Performance of an ab initio equation of state for magnesium oxide

    Luo, S. N., Swift, D. C., Mulford, R. N., Drummond, N. D. & Ackland, G., 4 Aug 2004, In: Journal of Physics: Condensed Matter. 16, 30, p. 5435-5442 8 p.

    Research output: Contribution to journalArticlepeer-review

  132. Phase behaviour of the quantum Lennard-Jones solid

    Wiebe, H., Underwood, T. L. & Ackland, G. J., 18 Aug 2020, In: The Journal of Chemical Physics. 153, 7, 074502.

    Research output: Contribution to journalArticlepeer-review

  133. Phase diagram of the frustrated FCC antiferromagnet from effective-field theory

    Ehteshami, H. & Ackland, G., 9 Sep 2020, In: Journal of Physics: Condensed Matter. 32, 38, 385402.

    Research output: Contribution to journalArticlepeer-review

  134. Phase transitions in europium at high pressures

    Husband, R. J., Loa, I., Stinton, G. W., Ackland, G. J. & McMahon, M. I., 7 Mar 2013, In: High Pressure Research. 33, 1, p. 158-164 7 p.

    Research output: Contribution to journalArticlepeer-review

  135. Phase transitions in silicate perovskites from first principles

    Warren, M. C., Ackland, G. J., Karki, B. B. & Clark, S. J., 1998, In: Mineralogical Magazine. 62, 5, p. 585-598 14 p.

    Research output: Contribution to journalArticlepeer-review

  136. Phase transitions of copper precipitates in Fe-Cu alloys

    Blackstock, J. J. & Ackland, G. J., 21 Apr 2008, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 81, 9, p. 2127-2148 22 p.

    Research output: Contribution to journalArticlepeer-review

  137. Phase-transition-induced defect formation in III-V semiconductors

    Crain, J., Ackland, G. J., Piltz, R. O. & Hatton, P. D., 1993, In: Physical Review Letters. 70, 6, p. 814-817 4 p.

    Research output: Contribution to journalArticlepeer-review

  138. Phonon Localization by Mass Disorder in Dense Hydrogen-Deuterium Binary Alloy

    Howie, R. T., Magdau, I. B., Goncharov, A. F., Ackland, G. J. & Gregoryanz, E., 24 Oct 2014, In: Physical Review Letters. 113, 17, 5 p., 175501.

    Research output: Contribution to journalArticlepeer-review

  139. Polycrystalline iron under compression: Plasticity and phase transitions

    Gunkelmann, N., Bringa, E. M., Kang, K., Ackland, G. J., Ruestes, C. J. & Urbassek, H. M., 16 Oct 2012, In: Physical Review B: Condensed Matter and Materials Physics. 86, 14, 11 p., 144111.

    Research output: Contribution to journalArticlepeer-review

  140. Potassium under Pressure: A Pseudobinary Ionic Compound

    Marques, M., Ackland, G., Lundegaard, L. F., Stinton, G., Nelmes, R., McMahon, M. & Contreras-Garcia, J., 11 Sep 2009, In: Physical Review Letters. 103, 11, p. - 4 p., 115501.

    Research output: Contribution to journalArticlepeer-review

  141. Practical methods in ab initio lattice dynamics

    Ackland, GJ., Warren, MC. & Clark, SJ., 15 Sep 1997, In: Journal of Physics: Condensed Matter. 9, 37, p. 7861-7872 12 p.

    Research output: Contribution to journalArticlepeer-review

  142. Pressure-induced polymorphism in CuCl: An ab initio study

    Hsueh, H-C., Maclean, J. R., Clark, S. J., Ackland, G., Crain, J., Guo, G. Y. & Lee, M-H., 1 May 1995, In: Physical Review B. 51, 18, p. 12216-12222 7 p.

    Research output: Contribution to journalArticlepeer-review

  143. Pressure-induced symmetry breaking in tetrahedral networks

    Ackland, G. J., 15 Sep 1994, In: Physical Review B. 50, 11, p. 7389-7392 4 p.

    Research output: Contribution to journalArticlepeer-review

  144. Pressure-induced thermodynamic properties of atom-vacancy solid solution

    Fuks, D., Dorfman, S. & Ackland, G., 1 Oct 1996, In: Physical Review B: Condensed Matter and Materials Physics. 54, 14, p. 9726-9729 4 p.

    Research output: Contribution to journalArticlepeer-review

  145. Probing atomic environments in alloys by electron spectroscopy

    Underwood, T. L., Ackland, G. J. & Cole, R. J., 8 Jul 2014, In: Physical Review B: Condensed Matter and Materials Physics. 90, 1, 14 p., 014201.

    Research output: Contribution to journalArticlepeer-review

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

    Clark, SJ., Adam, CJ., Ackland, GJ., White, J. & Crain, J., Apr 1997, In: Liquid crystals. 22, 4, p. 469-475 7 p.

    Research output: Contribution to journalArticlepeer-review

  147. 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 journalArticlepeer-review

  148. Property trends in simple metals: An empirical potential approach

    Nichol, A. & Ackland, G. J., 2 May 2016, In: Physical Review B. 93, 18, 6 p., 184101.

    Research output: Contribution to journalArticlepeer-review

  149. Pseudopotential errors in titanium

    Tegner, B. E. & Ackland, G. J., Feb 2012, In: Computational Materials Science. 52, 1, p. 26 5 p.

    Research output: Contribution to journalArticlepeer-review

  150. Quadrupole Arrangements and the Ground State of Solid Hydrogen

    Bund, S. V. D. & Ackland, G. J., 10 Jan 2020, In: Physical Review B. 101, 1, 014103.

    Research output: Contribution to journalArticlepeer-review

  151. Quantitative rotational to librational transition in dense H2 and D2

    Pena Alvarez, M., Afonina, V., Dalladay-Simpson, P., Liu, X-D., Howie, R. T., Cooke, P., Magdau, I. B., Ackland, G. J. & Gregoryanz, E., 20 Aug 2020, In: The Journal of Physical Chemistry Letters. 11, 16, p. 6626-6631 6 p.

    Research output: Contribution to journalArticlepeer-review

  152. Quantum and isotope effects in lithium metal

    Ackland, G. J., Dunuwille, M., Martinez-Canales, M., Loa, I., Zhang, R., Sinogeikin, S., Cai, W. & Deemyad, S., 23 Jun 2017, In: Science. 356, 6344, p. 1254-1259 6 p.

    Research output: Contribution to journalArticlepeer-review

  153. Quantum mechanical predictions of nonscalar equations of state and nonmonotonic elastic stress-strain relations

    Swift, D. C. & Ackland, G., 11 Aug 2003, In: Applied Physics Letters. 83, 6, p. 1151-1153 3 p.

    Research output: Contribution to journalArticlepeer-review

  154. Raman signal from a hindered hydrogen rotor

    Cooke, P. I. C., Magdǎu, I. B., Peña-Alvarez, M., Afonina, V., Dalladay-Simpson, P., Liu, X-D., Howie, R. T., Gregoryanz, E. & Ackland, G. J., 1 Aug 2020, In: Physical Review B. 102, 6, 064102.

    Research output: Contribution to journalArticlepeer-review

  155. Rapid Equilibration by algorithmic quenching the ringing mode in molecular dynamics

    Ackland, G., 23 May 2016, In: MRS Advances. p. 1-9 9 p.

    Research output: Contribution to journalArticlepeer-review

  156. Relative strength of phase stabilizers in titanium alloys

    Tegner, B. E., Zhu, L. & Ackland, G. J., 7 Jun 2012, In: Physical Review B: Condensed Matter and Materials Physics. 85, 21, 4 p., 214106.

    Research output: Contribution to journalArticlepeer-review

  157. Rescaled potentials for transition metal solutes in -iron

    Hepburn, D. J., Ackland, G. & Olsson, P., 2009, In: Philosophical magazine. 89, 34-36, p. 3393-3411 19 p.

    Research output: Contribution to journalArticlepeer-review

  158. Reversible pressure-induced structural transitions between metastable phases of silicon

    Crain, J., Ackland, G. J., Maclean, J. R., Piltz, R. O., Hatton, P. D. & Pawley, G. S., 1 Nov 1994, In: Physical Review B. 50, 17, p. 13043-13046 4 p.

    Research output: Contribution to journalArticlepeer-review

  159. Self-interstitials in V and Mo

    Han, S., Zepeda-Ruiz, L. A., Car, R., Srolovitz, D. J. & Ackland, G., 1 Dec 2002, In: Physical Review B: Condensed Matter and Materials Physics. 66, 22, p. - 4 p., 220101.

    Research output: Contribution to journalArticlepeer-review

  160. Semi-empirical calculation of solid surface tensions in body-centred cubic transition metals

    Ackland, G. & Finnis, M. W., 1986, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 54, 2, p. 301-315

    Research output: Contribution to journalArticlepeer-review

  161. Semiempirical model of covalent bonding in silicon

    Ackland, G., 1989, In: Physical Review B. 40, 15, p. 10351-10355 5 p.

    Research output: Contribution to journalArticlepeer-review

  162. Shear melting and high temperature embrittlement: theory and application to machining titanium

    Healy, C., Koch, S., Siemers, C., Mukherji, D. & Ackland, G. J., 30 Mar 2015, In: Physical Review Letters. 114, 16, 5 p., 165501.

    Research output: Contribution to journalArticlepeer-review

  163. Short-time reorientational processes in molecular fluids

    Clark, S. J., Markwick, P. R. L., Ackland, G. J. & Crain, J., Jan 2000, In: Europhysics Letters. 49, 1, p. 34-40 7 p.

    Research output: Contribution to journalArticlepeer-review

  164. Simple N-body potentials for the noble metals and nickel

    Ackland, G., Vitek, V., Tichy, G. & Finnis, M. W., Dec 1987, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 56, 6, p. 735-756 22 p.

    Research output: Contribution to journalArticlepeer-review

  165. Simple thermodynamic model for the hydrogen phase diagram

    Magdau, I. B., Marques, M., Borgulya, B. & Ackland, G. J., 13 Mar 2017, In: Physical Review B: Condensed Matter and Materials Physics. 95, 9, 7 p., 094107.

    Research output: Contribution to journalArticlepeer-review

  166. Simulation of martensitic microstructural evolution in zirconium

    Pinsook, U. & Ackland, G. J., 1 Nov 1998, In: Physical Review B: Condensed Matter and Materials Physics. 58, 17, p. 11252-11257 6 p.

    Research output: Contribution to journalArticlepeer-review

  167. Simulation of martensitic microstructure

    Ackland, G. J., 2005, In: Journal of Materials Science. 40, 12, p. 3205-3208 4 p.

    Research output: Contribution to journalArticlepeer-review

  168. Simulation of microscopic strain in semiconducting heterojunctions

    Kelsey, A. & Ackland, G. J., May 1999, In: Modelling and simulation in materials science and engineering. 7, 3, p. 311-320 10 p.

    Research output: Contribution to journalArticlepeer-review

  169. Simulation of the interaction between Fe impurities and point defects in V

    Mendelev, M. I., Han, S., Son, W-J., Ackland, G. J. & Srolovitz, D. J., Dec 2007, In: Physical Review B: Condensed Matter and Materials Physics. 76, 21, p. - 11 p., 214105.

    Research output: Contribution to journalArticlepeer-review

  170. 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 journalArticlepeer-review

  171. Stability and electronic structure of the cinnabar phase in GaAs

    Kelsey, A. A., Ackland, G. J. & Clark, S. J., 15 Jan 1998, In: Physical Review B: Condensed Matter and Materials Physics. 57, 4, p. R2029-R2032 4 p.

    Research output: Contribution to journalArticlepeer-review

  172. Stability of CrSi 2 grown from the melt

    Ackland, G. J., 2005, In: Physical Review B: Condensed Matter and Materials Physics. 71, 1

    Research output: Contribution to journalArticlepeer-review

  173. Stability of CrSi2 grown from the melt

    Ackland, G., Jan 2005, In: Physical Review B: Condensed Matter and Materials Physics. 71, 1, p. - 2 p., 012106.

    Research output: Contribution to journalArticlepeer-review

  174. Stabilization of large generalized Lotka-Volterra foodwebs by evolutionary feedback

    Gallagher, I. D. & Ackland, G., 8 Oct 2004, In: Physical Review Letters. 93, 15, p. - 4 p., 158701.

    Research output: Contribution to journalArticlepeer-review

  175. Stacking Characteristics of Close Packed Materials

    Loach, C. H. & Ackland, G. J., 17 Nov 2017, In: Physical Review Letters. 119, 20, 5 p., 205701.

    Research output: Contribution to journalArticlepeer-review

  176. Strategy bifurcation and spatial inhomogeneity in a simple model of competing sellers

    Ackland, G. & Mitchell, L., Aug 2007, In: Europhysics Letters. 79, 4, p. - 6 p., 48003.

    Research output: Contribution to journalArticlepeer-review

  177. Strongly non-Arrhenius self-interstitial diffusion in vanadium

    Zepeda-Ruiz, L. A., Rottler, J., Han, S. W., Ackland, G., Car, R. & Srolovitz, D. J., Aug 2004, In: Physical Review B: Condensed Matter and Materials Physics. 70, 6, p. - 4 p., 060102.

    Research output: Contribution to journalArticlepeer-review

  178. Structural and electronic properties of the alkali metal incommensurate phases

    Woolman, G., Naden Robinson, V., Marqués, M., Loa, I., Ackland, G. J. & Hermann, A., 11 May 2018, In: Physical Review Materials. 2, 5, 12 p., 053604.

    Research output: Contribution to journalArticlepeer-review

  179. 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 journalArticlepeer-review

  180. Structure and properties of silicon XII: A complex tetrahedrally bonded phase

    Piltz, R. O., MacLean, J. R., Clark, S. J., Ackland, G. J., Hatton, P. D. & Crain, J., 1995, In: Physical Review B. 52, 6, p. 4072-4085 14 p.

    Research output: Contribution to journalArticlepeer-review

  181. Structure of an amphiphilic lattice gas, and its relationship to microclustering of methanol in water

    Guerin, J. A. & Ackland, G., Feb 2006, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 73, 2, p. - 5 p., 021504.

    Research output: Contribution to journalArticlepeer-review

  182. Structure of crystalline methanol at high pressure

    Allan, DR., Clark, SJ., Brugmans, MJP., Ackland, GJ. & Vos, WL., 1 Nov 1998, In: Physical Review B: Condensed Matter and Materials Physics. 58, 18, p. R11809-R11812 4 p.

    Research output: Contribution to journalArticlepeer-review

  183. Structures of solid hydrogen at 300K

    Ackland, G. J. & Loveday, J. S., 18 Mar 2020, In: Physical Review B. 101, 9, 094104.

    Research output: Contribution to journalArticlepeer-review

  184. THEORETICAL-STUDY OF HIGH-DENSITY PHASES OF COVALENT SEMICONDUCTORS .1. AB-INITIO TREATMENT

    CRAIN, J., CLARK, SJ., Ackland, G., PAYNE, MC., MILMAN, V., HATTON, PD. & REID, BJ., 15 Feb 1994, In: Physical Review B: Condensed Matter and Materials Physics. 49, 8, p. 5329-5340 12 p.

    Research output: Contribution to journalArticlepeer-review

  185. THEORETICAL-STUDY OF HIGH-DENSITY PHASES OF COVALENT SEMICONDUCTORS .2. EMPIRICAL-TREATMENT

    CLARK, SJ., Ackland, G. & CRAIN, J., 15 Feb 1994, In: Physical Review B: Condensed Matter and Materials Physics. 49, 8, p. 5341-5352 12 p.

    Research output: Contribution to journalArticlepeer-review

  186. THEORETICAL-STUDY OF TITANIUM SURFACES AND DEFECTS WITH A NEW MANY-BODY POTENTIAL

    Ackland, G., Dec 1992, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 66, 6, p. 917-932 16 p.

    Research output: Contribution to journalArticlepeer-review

  187. Tetrahedral structures and phase transitions in III-V semiconductors

    Crain, J., Piltz, R. O., Ackland, G. J., Clark, S. J., Payne, M. C., Milman, V., Lin, J. S., Hatton, P. D. & Nam, Y. H., 15 Sep 1994, In: Physical Review B. 50, 12, p. 8389-8401 13 p.

    Research output: Contribution to journalArticlepeer-review

  188. Tetrahedral structures and phase transitions in III-V semiconductors (vol 50, pg 8389, 1994)

    Crain, J., Piltz, RO., Ackland, GJ., Clark, SJ., Payne, MC., Milman, V., Lin, JS., Hatton, PD. & Nam, YH., 15 Dec 1995, In: Physical Review B: Condensed Matter and Materials Physics. 52, 23, p. 16936-16937 2 p.

    Research output: Contribution to journalArticlepeer-review

  189. The MOLDY short-range molecular dynamics package

    Ackland, G. J., D'Mellow, K., Daraszewicz, S. L., Hepburn, D. J., Uhrin, M. & Stratford, K., Dec 2011, In: Computer Physics Communications. 182, 12, p. 2587-2604 18 p.

    Research output: Contribution to journalArticlepeer-review

  190. The Role of Trust in a Self-Organising Pharmaceutical Supply Chain Model with Variable Drug Quality and Imperfect Information

    Ackland, G., Chattoe-Brown, E., Hamill, H., Hampshire, K. R., Mariwah, S. & Mshana, G., 31 Mar 2019, In: Journal of Artificial Societies and Social Simulation.

    Research output: Contribution to journalArticlepeer-review

  191. The Structure of Eu-III

    Husband, R. J., Loa, I., Stinton, G. W., Evans, S. R., Ackland, G. J. & Mcmahon, M. I., 30 Jul 2012, In: Journal of Physics: Conference Series. 377, 1, 4 p., 012030.

    Research output: Contribution to journalArticlepeer-review

  192. The effect of school closures on COVID mortality: old and new predictions

    Rice, W. K. M., Wynne, B., Martin, V. J. & Ackland, G. J., 7 Oct 2020, In: British Medical Journal (BMJ). 371, m3588.

    Research output: Contribution to journalArticlepeer-review

  193. The phonon spectrum of phase-I ammonia: Reassignment of lattice mode symmetries from combined molecular and lattice dynamics calculations

    Reilly, A. M., Middlemiss, D. S., Siddick, M. M., Wann, D. A., Ackland, G. J., Wilson, C. C., Rankin, D. W. H. & Morrison, C. A., 14 Feb 2008, In: The Journal of Physical Chemistry A. 112, 6, p. 1322-1329 8 p.

    Research output: Contribution to journalArticlepeer-review

  194. The role of van der Waals and exchange interactions in high-pressure solid hydrogen

    Azadi, S. & Ackland, G. J., 2 Aug 2017, In: Physical chemistry chemical physics. 19, 32, p. 21829-21839 11 p.

    Research output: Contribution to journalArticlepeer-review

  195. Theoretical and computational study of high-pressure structures in barium

    Reed, S. K. & Ackland, G. J., 2000, In: Physical Review Letters. 84, 24, p. 5580-5583 4 p.

    Research output: Contribution to journalArticlepeer-review

  196. Theoretical stability limit of diamond at ultrahigh pressure

    Clark, S. J., Ackland, G. J. & Crain, J., 1 Dec 1995, In: Physical Review B. 52, 21, p. 15035-15038 4 p.

    Research output: Contribution to journalArticlepeer-review

  197. Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment

    Crain, J., Clark, S. J., Ackland, G. J., Payne, M. C., Milman, V., Hatton, P. D. & Reid, B. J., 1994, In: Physical Review B. 49, 8, p. 5329-5340 12 p.

    Research output: Contribution to journalArticlepeer-review

  198. Theoretical study of high-density phases of covalent semiconductors. II. Empirical treatment

    Clark, S. J., Ackland, G. J. & Crain, J., 1994, In: Physical Review B. 49, 8, p. 5341-5352 12 p.

    Research output: Contribution to journalArticlepeer-review

  199. Theoretical study of the effect of point defects on the elastic constants of copper

    Ackland, G. J., 1988, In: Journal of Nuclear Materials. 152, 1, p. 53-63 11 p.

    Research output: Contribution to journalArticlepeer-review

  200. Theory of High Pressure Phases of Group-IV and III–V Semiconductors

    Ackland, G. J., Jan 2001, In: physica status solidi (b). 223, 2, p. 361-368 8 p.

    Research output: Contribution to journalArticlepeer-review

  201. Theory of high pressure hydrogen, made simple

    Magdau, I. B., Balm, F. & Ackland, G. J., 1 Dec 2015, In: Journal of Physics: Conference Series. 950, 7 p., 042059.

    Research output: Contribution to journalArticlepeer-review

  202. Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen

    Geng, H. Y., Wu, Q., Marques, M. & Ackland, G., 28 Oct 2019, In: Physical Review B. 100, 13

    Research output: Contribution to journalArticlepeer-review

  203. Thermodynamically complete equations of state for nickel-titanium alloy

    Swift, D. C., Niemczura, J. G., Paisley, D. L., Johnson, R. P., Hauer, A., Hackenberg, R. E., Cooley, J., Thoma, D. & Ackland, G., 1 Nov 2005, In: Journal of applied physics. 98, 9, p. - 14 p., 093512.

    Research output: Contribution to journalArticlepeer-review

  204. Total energy calculation for high pressure selenium: The origin of incommensurate modulations in Se IV and the instability of proposed Se II

    Ackland, G. J. & Fox, H., 2005, In: Journal of Physics: Condensed Matter. 17, 12, p. 1851-1859 9 p.

    Research output: Contribution to journalArticlepeer-review

  205. Total energy calculation for high pressure selenium: the origin of incommensurate modulations in SeIV and the instability of proposed SeII

    Fox, H. & Ackland, G., 30 Mar 2005, In: Journal of Physics: Condensed Matter. 17, 12, p. 1851-1859 9 p.

    Research output: Contribution to journalArticlepeer-review

  206. Transferability of first principles derived torsional potentials for mesogenic molecules and fragments

    Adam, C. J., Clark, S. J., Wilson, M. R., Ackland, G. J. & Crain, J., 20 Apr 1998, In: Molecular Physics. 93, 6, p. 947-954 8 p.

    Research output: Contribution to journalArticlepeer-review

  207. Transition metal solute interactions with point defects in fcc iron from first principles

    Hepburn, D. J., MacLeod, E. & Ackland, G. J., 13 Jul 2015, In: Physical Review B: Condensed Matter and Materials Physics. 92, 1, 19 p., 014110.

    Research output: Contribution to journalArticlepeer-review

  208. Trapping of interstitial defects: filling the gap between the experimental measurements and DFT calculations

    Zhu, L., Wang, H., Hu, Q-M., Ackland, G. J. & Yang, R., 30 Oct 2013, In: Journal of Physics: Condensed Matter. 25, 43, 7 p., 435402.

    Research output: Contribution to journalArticlepeer-review

  209. Twenty five years of Finnis-Sinclair potentials

    Ackland, G., Sutton, A. & Vitek, V., 2009, In: Philosophical magazine. 89, 34-36, p. 3111-3116 6 p.

    Research output: Contribution to journalArticlepeer-review

  210. Twinning hierarchy, shape memory, and superelasticity demonstrated by molecular dynamics

    Zelazny, M., Richardson, R. & Ackland, G., 18 Oct 2011, In: Physical Review B: Condensed Matter and Materials Physics. 84, 14, p. - 7 p., 144113.

    Research output: Contribution to journalArticlepeer-review

  211. Two disordered phases of the β-Tin structure in binary semiconductors

    Ackland, G. J., 2001, In: Physical Review Letters. 86, 23, p. 5301-5304 4 p.

    Research output: Contribution to journalArticlepeer-review

  212. Two-band second moment model and an interatomic potential for caesium

    Ackland, G. & Reed, S. K., 1 May 2003, In: Physical Review B: Condensed Matter and Materials Physics. 67, 17, p. - 9 p., 174108.

    Research output: Contribution to journalArticlepeer-review

  213. Two-band second moment model for transition metals and alloys

    Ackland, G., 1 Jun 2006, In: Journal of Nuclear Materials. 351, 1-3, p. 20-27 8 p.

    Research output: Contribution to journalArticlepeer-review

  214. Understanding high pressure hydrogen with a hierarchical machine-learned potential

    Zong, H., Wiebe, H. & Ackland, G. J., 6 Oct 2020, In: Nature Communications. 11, 5014.

    Research output: Contribution to journalArticlepeer-review

  215. Understanding plantation transformation using a size-structured spatial population model

    Adams, T., Ackland, G., Marion, G. & Edwards, C., 1 Feb 2011, In: Forest Ecology and Management. 261, 3, p. 799-809 11 p.

    Research output: Contribution to journalArticlepeer-review

  216. Validating molecular dynamics with direct imaging of radiation damage debris

    Lane, P. D., Galloway, G. J., Cole, R. J., Caffio, M., Schaub, R. & Ackland, G. J., 29 Mar 2012, In: Physical Review B: Condensed Matter and Materials Physics. 85, 9, 6 p., 094111.

    Research output: Contribution to journalArticlepeer-review

  217. Validity of the second-moment tight-binding model

    Ackland, G., 1988, In: Journal of Physics F: Metal Physics. 18, 8, L153.

    Research output: Contribution to journalArticlepeer-review

  218. Very low energy surface of silicon

    Clark, S. J., Ackland, G. J., Crain, J. & Payne, M. C., 15 Aug 1994, In: Physical Review B. 50, 8, p. 5728-5731 4 p.

    Research output: Contribution to journalArticlepeer-review

  219. Vibrational and elastic effects of point defects in silicon

    Clark, S. J. & Ackland, G. J., 1993, In: Physical Review B. 48, 15, p. 10899-10908 10 p.

    Research output: Contribution to journalArticlepeer-review

  220. Vibrational properties of the layered semiconductor germanium sulfide under hydrostatic pressure: Theory and experiment

    Hsueh, HC., Warren, MC., Vass, H., Ackland, GJ., Clark, SJ. & Crain, J., 1 Jun 1996, In: Physical Review B: Condensed Matter and Materials Physics. 53, 22, p. 14806-14817 12 p.

    Research output: Contribution to journalArticlepeer-review

  221. When immiscible becomes miscible—Methane in water at high pressures

    Pruteanu, C. G., Ackland, G. J., Poon, W. C. K. & Loveday, J. S., 23 Aug 2017, In: Science Advances. 3, 8, e1700240.

    Research output: Contribution to journalArticlepeer-review

  222. hcp → ω phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study

    Zong, H., Luo, Y., Ding, X., Lookman, T. & Ackland, G. J., 1 Jan 2019, In: Acta Materialia. 162, p. 126-135 10 p.

    Research output: Contribution to journalArticlepeer-review

  223. monteswitch: A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo

    Underwood, T. L. & Ackland, G. J., 1 Jun 2017, In: Computer Physics Communications. 215, p. 204-222 19 p.

    Research output: Contribution to journalArticlepeer-review

  224. Letter › Research › Peer-reviewed
  225. 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

  226. No experimental Fermi surface measurements have been reported or made on low-temperature martensitic lithium

    Martinez-Canales, M., Loa, I. & Ackland, G. J., 17 Oct 2017, In: Proceedings of the National Academy of Sciences (PNAS). 114, 42, p. E8809-E8809 1 p.

    Research output: Contribution to journalLetterpeer-review

  227. VALIDITY OF THE 2ND MOMENT TIGHT-BINDING MODEL

    ACKLAND, GJ., FINNIS, MW., VITEK, N. V. & Ackland, G., Aug 1988, In: Journal of Physics F: Metal Physics. 18, 8, p. L153-L157 5 p.

    Research output: Contribution to journalLetterpeer-review

  228. Comment/debate › Research › Not peer-reviewed
  229. Covid-19: Modelling the pandemic

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

    Research output: Contribution to journalComment/debate

  230. Comment/debate › Research › Peer-reviewed
  231. ALUMINIUM Simple metal no more

    McMahon, M. I. & Ackland, G. J., Aug 2010, In: Nature Materials. 9, 8, p. 607-608 2 p.

    Research output: Contribution to journalComment/debatepeer-review

  232. Mechanical properties: Overcoming old barriers

    Ackland, G. J., Oct 2012, In: Nature Materials. 11, 10, p. 837-838 3 p.

    Research output: Contribution to journalComment/debatepeer-review

  233. Literature review › Research › Peer-reviewed
  234. Daisyworld: A review

    Wood, A. J., Ackland, G. J., Dyke, J. G., Williams, H. T. P. & Lenton, T. M., 5 Jan 2008, In: Reviews of Geophysics. 46, 1, p. - 23 p., RG1001.

    Research output: Contribution to journalLiterature reviewpeer-review

  235. Exotic structures of tetrahedral semiconductors

    CRAIN, J., Clark, SJ. & Ackland, G., Jul 1995, In: Reports on Progress in Physics. 58, 7, p. 705-754 50 p.

    Research output: Contribution to journalLiterature reviewpeer-review

  236. Editorial › Research › Peer-reviewed
  237. Bearing down on hydrogen

    Ackland, G. J., 26 Jun 2015, In: Science. 348, 6242, p. 1429-1430 2 p.

    Research output: Contribution to journalEditorialpeer-review

  238. Controlling Radiation Damage

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

    Research output: Contribution to journalEditorialpeer-review

  239. Book › Research
  240. High-pressure simulations of atom-vacancy solid solution

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

    Research output: Book/ReportBook

  241. Chapter › Research
  242. Interatomic potential development

    Ackland, G. J., 2012, Comprehensive Nuclear Materials. Konings, RJM. (ed.). AMSTERDAM: Elsevier Science Limited, Vol. 1. p. 267-291 25 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  243. Conference contribution › Research
  244. APPLICATION OF MANY-BODY POTENTIALS TO NOBLE-METAL ALLOYS

    ACKLAND, GJ., VITEK, N. V. & Ackland, G., 1989, ATOMISTIC SIMULATION OF MATERIALS : BEYOND PAIR POTENTIALS. VITEK & SROLOVITZ, DJ. (eds.). NEW YORK: PLENUM PRESS DIV PLENUM PUBLISHING CORP, p. 193-202 10 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  245. ATOMIC-STRUCTURE AND CHEMICAL-COMPOSITION OF GRAIN-BOUNDARIES IN L1(2) INTERMETALLIC COMPOUNDS - RELATION TO INTERGRANULAR BRITTLENESS

    YAN, M., VITEK, V., ACKLAND, GJ. & Ackland, G., 1992, ORDERED INTERMETALLICS - PHYSICAL METALLURGY AND MECHANICAL BEHAVIOUR. LIU, CT., CAHN, RW. & SAUTHOFF, G. (eds.). DORDRECHT: Kluwer Academic Publishers, p. 335-353 19 p. (NATO ADVANCED SCIENCE INSTITUTES SERIES, SERIES E, APPLIED SCIENCES; vol. 213).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  246. ATOMISTIC MODELING OF EXTENDED DEFECTS IN METALLIC ALLOYS - DISLOCATIONS AND GRAIN-BOUNDARIES IN L12 COMPOUNDS

    VITEK, N. V., ACKLAND, GJ., CSERTI, J. & Ackland, G., 1991, ALLOY PHASE STABILITY AND DESIGN. STOCKS, GM., POPE, DP. & GIAMEI, AF. (eds.). PITTSBURGH: MATERIALS RESEARCH SOC, p. 237-251 15 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 186).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  247. Ab initio model of porous periclase

    Drummond, N. D., Swift, D. C. & Ackland, G., 2004, SHOCK COMPRESSION OF CONDENSED MATTER - 2003, PTS 1 AND 2, PROCEEDINGS. Furnish, MD., Gupta, YM. & Forbes, JW. (eds.). MELVILLE: American Institute of Physics, p. 1436-1439 4 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  248. Atomistic modelling of the shape memory effect

    Ackland, G., 2005, Solid-Solid Phase Transformations in Inorganic Material 2005, Vol 2. Howe, JM., Laughlin, DE., Lee, JK., Dahmen, U. & Soffa, WA. (eds.). WARRENDALE: MINERALS, METALS & MATERIALS SOC, p. 153-164 12 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  249. DEVELOPMENT OF OXIDATION RESISTANT TITANIUM ALLOYS BY NIOBIUM ADDITION

    Ackland, G., Siemers, C., Tegner, B. E., Saksl, K., Brunke, F. & Kohnke, M., 2014, Proceedings of Metallurgical Society of CIM ( MetSoc ) 2014: Light metals Processing .

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  250. EFFECT OF ORDERING ENERGY ON GRAIN-BOUNDARY STRUCTURE IN L12 ALLOYS

    ACKLAND, GJ., VITEK, N. V. & Ackland, G., 1989, HIGH-TEMPERATURE ORDERED INTERMETALLIC ALLOYS III. LIU, CT., TAUB, AI., STOLOFF, NS. & KOCH, CC. (eds.). PITTSBURGH: MATERIALS RESEARCH SOC, p. 105-111 7 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 133).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

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

    Clark, SJ., Ackland, GJ. & Crain, J., 1998, LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS. Rutkowska, J., Klosowicz, SJ., Zielinski, J. & Zmija, J. (eds.). BELLINGHAM: SPIE-INT SOC OPTICAL ENGINEERING, p. 166-170 5 p. (PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE); vol. 3318).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  252. Evaluation of free energy differences between crystalline phases using the lattice-switch Monte Carlo method

    Ackland, GJ., Wilding, NB. & Bruce, AD., 1998, HIGH-PRESSURE MATERIALS RESEARCH. Wentzcovitch, RM., Hemley, RJ., Nellis, WJ. & Yu, PY. (eds.). WARRENDALE: Materials Research Society, p. 253-264 12 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 499).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  253. Evolution of microstructure in the bcc-hcp martensitic phase transition in zirconium

    Ackland, GJ. & Pinsook, U., 1998, MICROSCOPIC SIMULATION OF INTERFACIAL PHENOMENA IN SOLIDS AND LIQUIDS. Phillpot, Bristowe, PD., Stroud, DG. & Smith (eds.). WARRENDALE: Materials Research Society, p. 281-286 6 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 492).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  254. Fermi surface effects in solid-solid phase transitions in simple metals under pressure

    Ackland, G., 2005, Solid-Solid Phase Transformations in Inorganic Material 2005, Vol 2. Howe, JM., Laughlin, DE., Lee, JK., Dahmen, U. & Soffa, WA. (eds.). WARRENDALE: MINERALS, METALS & MATERIALS SOC, p. 657-662 6 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  255. HOW DOES NIOBIUM IMPROVE THE OXIDATION RESISTANCE OF COMMERCIALLY PURE TITANIUM?

    Ackland, G., Siemers, C., Tegner, B. E., Saksl, K., Brunke, F. & Kohnke, M., 2015, Ti-2015 conference procedings. 5 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  256. High temperature Raman analysis of hydrogen phase IV from molecular dynamics

    Magdau, I. B. & Ackland, G. J., 2014, 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19. Buttler, W., Furlanetto, M. & Evans, W. (eds.). BRISTOL: IOP Publishing Ltd., 6 p. (Journal of Physics Conference Series; vol. 500).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  257. How do martensitic twin boundaries move?

    Pinsook, U. & Ackland, G., 2002, MODELING AND NUMERICAL SIMULATION OF MATERIALS BEHAVIOR AND EVOLUTION. Zavaliangos, A., Tikare, V. & Olevsky, EA. (eds.). WARRENDALE: Materials Research Society, p. 155-160 6 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  258. Interatomic forces for transition metals including magnetism

    Hepburni, D. J., Wallenius, J. & Ackland, G., 2010, TMS 2010 139TH ANNUAL MEETING & EXHIBITION - SUPPLEMENTAL PROCEEDINGS, VOL 2: MATERIALS CHARACTERIZATION, COMPUTATION AND MODELING AND ENERGY. WARRENDALE: MINERALS, METALS & MATERIALS SOC, p. 85-92 8 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  259. LOAD-INDUCED MARTENSITIC TRANSFORMATIONS IN PSEUDO-ELASTIC LENNARD-JONES CRYSTALS

    Kastner, O. & Ackland, G. J., 2009, SMASIS2008: PROCEEDINGS OF THE ASME CONFERENCE ON SMART MATERIALS, ADAPTIVE STRUCTURES AND INTELLIGENT SYSTEMS - 2008, VOL 1. NEW YORK: American Society for Mechanical Engineers, p. 307-314 8 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  260. STRUCTURE OF GRAIN-BOUNDARIES IN L12 ALLOYS AT FINITE TEMPERATURES - EFFECTS OF DEVIATIONS FROM STOICHIOMETRY

    YAN, M., VITEK, N. V., ACKLAND, GJ. & Ackland, G., 1992, STRUCTURE AND PROPERTIES OF INTERFACES IN MATERIALS. CLARK, WAT., DAHMEN, U. & BRIANT, CL. (eds.). PITTSBURGH: MATERIALS RESEARCH SOC, p. 139-144 6 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 238).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  261. Structural phase transitions in calcium: A first principle calculation

    Ahulwalia, PK., Clerk, SJ. & Ackland, GJ., 1999, SOLID STATE PHYSICS, VOL 41, 1998. Mukhopadhyay, R., Shaikh, AM. & Godwal, BK. (eds.). HYDERABAD: UNIVERSITIES PRESS INDIA LTD, p. 147-148 2 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  262. Temperature dependence in interatomic potentials and an improved potential for Ti

    Ackland, G. J., 2012, IUPAP C20 CONFERENCE ON COMPUTATIONAL PHYSICS (CCP 2011). Stocks, GM. & Troparevsky, MC. (eds.). BRISTOL: IOP Publishing Ltd., 9 p. (Journal of Physics Conference Series; vol. 402).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  263. Thermodynamic properties from static-lattice calculations with soft modes

    Drummond, N. D. & Ackland, G., 2002, PEROVSKITE MATERIALS. Wentzcovitch, R., Navrotsky, A. & Poeppelmeier, K. (eds.). WARRENDALE: Materials Research Society, p. 131-136 6 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  264. VIBRATIONAL ENTROPY OF ORDERED AND DISORDERED ALLOYS

    ACKLAND, GJ. & Ackland, G., 1994, ALLOY MODELING & DESIGN. Stocks, GM. & Turchi, PEA. (eds.). WARRENDALE: MINERALS, METALS & MATERIALS SOC, p. 149-153 5 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution