Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

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  1. 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 journal › Article › peer-review

  2. 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 proceeding › Conference contribution

  3. 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 journal › Article › peer-review

  4. 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 proceeding › Conference contribution

  5. 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 proceeding › Conference contribution

  6. 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 journal › Letter › peer-review

  7. 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 journal › Article › peer-review

  8. 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 proceeding › Conference contribution

  9. 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 journal › Article › peer-review

  10. 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 journal › Article › peer-review

  11. 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 proceeding › Conference contribution

  12. 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 journal › Article › peer-review

  13. 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 journal › Article › peer-review

  14. 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 journal › Article › peer-review

  15. 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 journal › Article › peer-review

  16. Covid-19: Modelling the pandemic

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

    Research output: Contribution to journal › Comment/debate

  17. 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 journal › Article › peer-review

  18. Maximisation Principles and Daisyworld

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

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

  19. 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 journal › Article › peer-review

  20. Mechanical properties: Overcoming old barriers

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

    Research output: Contribution to journal › Comment/debate › peer-review

  21. 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 journal › Article › peer-review

  22. 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 journal › Article › peer-review

  23. 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 journal › Article › peer-review

  24. 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 journal › Article › peer-review

  25. 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 journal › Article › peer-review

  26. 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 journal › Article › peer-review

  27. 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 journal › Article › peer-review

  28. 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 journal › Article › peer-review

  29. 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 proceeding › Chapter

  30. 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 proceeding › Conference contribution

  31. 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 journal › Article › peer-review

  32. 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 journal › Article › peer-review

  33. Pack formation in cycling and orienteering

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

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

  34. 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 journal › Article › peer-review

  35. 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 journal › Article › peer-review

  36. 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 journal › Article › peer-review

  37. 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 journal › Article › peer-review

  38. 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 proceeding › Conference contribution

  39. 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 journal › Article › peer-review

  40. Simulation of martensitic microstructure

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

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

  41. 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 journal › Article › peer-review

  42. 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 proceeding › Conference contribution

  43. 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 proceeding › Conference contribution

  44. 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 journal › Article › peer-review

  45. 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 journal › Article › peer-review

  46. 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 journal › Article › peer-review

  47. Controlling Radiation Damage

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

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

  48. 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 journal › Article › peer-review

  49. 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 journal › Article › peer-review

  50. 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 journal › Article › peer-review

  51. 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 journal › Article › peer-review

  52. 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 journal › Article › peer-review

  53. 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 proceeding › Conference contribution

  54. 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 journal › Article › peer-review

  55. Icosahedral (H2)13 supermolecule

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

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

  56. 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 journal › Article › peer-review

  57. 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 journal › Article › peer-review

  58. Twinning deformation in martensite microstructure

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

    Research output: Contribution to conference › Other

  59. 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 journal › Article › peer-review

  60. 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 journal › Article › peer-review

  61. 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 journal › Article › peer-review

  62. 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 journal › Article › peer-review

  63. 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 journal › Article › peer-review

  64. Bearing down on hydrogen

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

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

  65. 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 journal › Article › peer-review

  66. 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 journal › Article › peer-review

  67. 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 journal › Article › peer-review

  68. 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 conference › Other

  69. 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

  70. 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 journal › Article › peer-review

  71. 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 journal › Article › peer-review

  72. 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

  73. 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 journal › Article › peer-review

  74. 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 journal › Article › peer-review

  75. 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 journal › Article › peer-review

  76. 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 journal › Article › peer-review

  77. 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 proceeding › Conference contribution

  78. 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 journal › Article › peer-review

  79. 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 journal › Article › peer-review

  80. 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 journal › Article › peer-review

  81. 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 journal › Article › peer-review

  82. 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 journal › Article › peer-review

  83. 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 journal › Article › peer-review

  84. 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 journal › Article › peer-review

  85. 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 journal › Article › peer-review

  86. 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 journal › Article › peer-review

  87. 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 journal › Article › peer-review

  88. 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 journal › Article › peer-review

  89. 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 journal › Article › peer-review

  90. 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 journal › Article › peer-review

  91. 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 journal › Article › peer-review

  92. 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 journal › Literature review › peer-review

  93. 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 journal › Article › peer-review

  94. 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 journal › Article › peer-review

  95. 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 journal › Article › peer-review

  96. 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

  97. 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 journal › Article › peer-review

  98. 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 journal › Article › peer-review

  99. 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 journal › Article › peer-review

  100. 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 proceeding › Conference contribution

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