Publications by Snook, I

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Books (1)
Snook, I 2007, The Langevin and generalised Langevin approach to the dynamics of atomic, polymeric and colloidal systems, Elsevier, Amsterdam, The Netherlands. 267  
Book Chapters (2)
Yarovsky, I, Spencer, M and Snook, I 2011, 'Metal surfaces and interfaces: Properties from density functional theory' in J. R. Reimers (ed.) Computational Methods for Large Systems: Electronic Structure approaches for Biotechnology and Nanotechnology, John Wiley and Sons, Hoboken, New Jersey, pp. 515-559. 344  
Barnard, A, Russo, S and Snook, I 2005, 'Modeling of stability and phase transformations in zero- and one-dimensional nanocarbon systems' in Michael Rieth, W. Schommers (ed.) Handbook of Theoretical and Computational Nanotechnology, American Scientific Publishers, USA, pp. 1-50. 143  
Journal Articles (130)
Per, M, Barnard, A and Snook, I 2016, 'High-throughput simulation of the configuration and ionisation potential of nitrogen-doped graphene', Molecular Simulation, vol. 42, no. 42557, pp. 458-462. 17   1 0 0
Grochola, G, Snook, I and Russo, S 2016, 'Phase separated reconstruction patterns on strained FCC (111) metal surfaces', Molecular Simulation, vol. 42, no. 42557, pp. 484-493. 50   1 0 0
Nakano, H, Sugiyama, Y, Morishita, T, Spencer, M, Snook, I, Kumai, Y and Okamoto, H 2014, 'Anion secondary batteries utilizing a reversible BF4 insertion/extraction two-dimensional Si material', Journal of Materials Chemistry A, vol. 20, pp. 7588-7592. 179   20 Cited 14 times in Scopus14 0
Merchant, A, Snook, I and Russo, S 2014, 'Predicting large area surface reconstructions using molecular dynamics methods', Journal of Chemical Physics, vol. 140, no. 5, 054701, pp. 1-8. 70   1 Cited 1 times in Scopus1 0
Shi, H, Barnard, A and Snook, I 2013, 'Site-dependent stability and electronic structure of single vacancy point defects in hexagonal graphene nano-flakes', Physical Chemistry Chemical Physics, vol. 15, no. 14, pp. 4897-4905. 50   10 Cited 10 times in Scopus10
Dalton, B, Glavatskiy, K, Daivis, P, Todd, B and Snook, I 2013, 'Linear and nonlinear density response functions for a simple atomic fluid', The Journal of Chemical Physics, vol. 139, no. 4, 044510, pp. 1-12. 44   7 0 0
Miller, N, Daivis, P, Snook, I and Todd, B 2013, 'Computation of thermodynamic and transport properties to predict thermophoretic effects in an argon-krypton mixture', The Journal of Chemical Physics, vol. 139, no. 14, 144504, pp. 1-10. 149 146 1
Spencer, M, Bassett, M, Morishita, T, Snook, I and Nakano, H 2013, 'Interactions between stacked layers of phenyl-modified silicene', New Journal of Physics, vol. 15, pp. 1-12. 60   13 Cited 10 times in Scopus10 0
Morishita, T, Spencer, M, Kawamoto, S and Snook, I 2013, 'A new surface and structure for silicene: Polygonal silicene formation on the Al(111) surface', The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, vol. 117, no. 42, pp. 22142-22148. 162   41 Cited 29 times in Scopus29 3
Shi, H, Lai, L, Snook, I and Barnard, A 2013, 'Relative stability of graphene nanoflakes under environmentally relevant conditions', Journal of Physical Chemistry C, vol. 117, no. 29, pp. 15375-15382. 38   11 Cited 11 times in Scopus11 11
Opletal, G, Petersen, T, Snook, I and Russo, S 2013, 'HRMC2.0: Hybrid Reverse Monte Carlo method with silicon, carbon and germanium potentials', Computer Physics Communications, vol. 184, no. 8, pp. 1946-1957. 43   13 Cited 12 times in Scopus12 0
Shi, H, Barnard, A and Snook, I 2012, 'High throughput theory and simulation of nanomaterials: exploring the stability and electronic properties of nanographene', Journal of Materials Chemistry, vol. 22, no. 35, pp. 18119-18123. 51   16 Cited 16 times in Scopus16 6
Shi, H, Bernard, A and Snook, I 2012, 'Quantum mechanical properties of graphene nano-flakes and quantum dots', Nanoscale, vol. 4, no. 21, pp. 6761-6767. 141   26 0
Barnard, A and Snook, I 2012, 'Ripple induced changes in the wavefunction of graphene: An example of a fundamental symmetry breaking', Nanoscale, vol. 4, no. 4, pp. 1167-1170. 52   12 Cited 13 times in Scopus13 1
Per, M, Snook, I and Russo, S 2012, 'Efficient calculation of unbiased expectation values in diffusion quantum Monte Carlo', Physical Review B, vol. 86, no. 20, pp. 1-4. 94   6 Cited 2 times in Scopus2 0
Grochola, G, Snook, I and Russo, S 2012, 'Modelling self-ordering behaviour on Ag covered Pt vicinal surfaces', Surface Science, vol. 606, no. 2122, pp. 1565-1572. 42   2 Cited 2 times in Scopus2 0
Shi, H, Barnard, A and Snook, I 2012, 'Modelling the role of size, edge structure and terminations on the electronic properties of trigonal graphene nanoflakes', Nanotechnology, vol. 23, no. 6, pp. 1-9. 65   21 Cited 20 times in Scopus20 2
Wilms, D, Virnau, P, Snook, I and Binder, K 2012, 'Motion, relaxation dynamics, and diffusion processes in two-dimensional colloidal crystals confined between walls', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 86, no. 5, 051404, pp. 1-14. 37   3 Cited 3 times in Scopus3 0
Snook, I and Barnard, A 2011, 'Theory, experiment and applications of graphene nano-flakes', Journal of Nanoscience Letters, vol. 1, no. 1, pp. 50-60. 131  
Zoontjens, P, Grochola, G, Snook, I and Russo, S 2011, 'A kinetic Monte Carlo study of Pt on Au (111) with applications to bimetallic catalysis', Journal of Physics: Condensed Matter, vol. 23, no. 1, pp. 1-11. 243   0
Grochola, G, Snook, I and Russo, S 2011, 'Static substrate deposition: Toward longer time scale deposition simulations', Physical Review B, vol. 84, no. 16, pp. 1-10. 95   2 Cited 2 times in Scopus2 0
Per, M, Snook, I and Russo, S 2011, 'Zero-variance zero-bias quantum Monte Carlo estimators for the electron density at a nucleus', Journal of Chemical Physics, vol. 135, no. 13, pp. 1-7. 136   2 Cited 2 times in Scopus2 0
Seyed Razavi, A, Snook, I and Barnard, A 2011, 'Surface Area Limited Model for Predicting Anisotropic Coarsening of Faceted Nanoparticles', Crystal Growth and Design, vol. 11, no. 1, pp. 158-165. 79   17 Cited 15 times in Scopus15 0
Barnard, A and Snook, I 2011, 'Ideality versus reality: Predicting the effect of realistic environments on the electronic properties of nanographene', Nanoscience and Nanotechnology Letters, vol. 3, no. 1, pp. 59-62. 99   9 Cited 10 times in Scopus10 0
Rees, R, Snook, I and Smith, E 2011, 'The use of analytic continuation to increase the accuracy in modelling fluid-surface interactions in cylindrical nanopores', Molecular Simulation, vol. 37, no. 4, pp. 310-320. 68   1 Cited 1 times in Scopus1 0
Grochola, G, Snook, I and Russo, S 2011, 'Controlling the self-ordering behaviour of nanostructures on patterned substrates', Philosophical Magazine, vol. 91, no. 11, pp. 1540-1556. 123   1 Cited 1 times in Scopus1 0
Spencer, M, Morishita, T, Mikami, M, Snook, I, Sugiyama, Y and Nakano, H 2011, 'The electronic and structural properties of novel organomodified Si nanosheets', Physical Chemistry Chemical Physics, vol. 13, no. 34, pp. 15418-15422. 132   30 Cited 30 times in Scopus30 0
Barnard, A and Snook, I 2011, 'Modelling the role of size, edge structure and terminations on the electronic properties of graphene nano-flakes', Modelling And Simulation In Materials Science And Engineering, vol. 19, no. 5, pp. 1-12. 78   44 Cited 41 times in Scopus41 0
Snook, I 2011, 'The scientific contributions of Edgar R. Smith', Molecular Simulation, vol. 37, no. 4, pp. 260-263. 75   0 0
Zoontjens, P, Grochola, G, Snook, I and Russo, S 2011, 'A kinetic Monte Carlo study of Pt on Au(111) with applications to bimetallic catalysis', Journal of Physics-Condensed Matter, vol. 23, no. 1, pp. 1-11. 234   3 Cited 3 times in Scopus3 0
Opletal, G, Grochola, G, Chui, Y, Snook, I and Russo, S 2011, 'Stability and Transformations of Heated Gold Nanorods', Journal of Physical Chemistry C, vol. 115, no. 11, pp. 4375-4380. 98   18 Cited 14 times in Scopus14 0
Opletal, G, Petersen, T, O'Malley, B, Snook, I, McCulloch, D and Yarovsky, I 2011, 'HRMC_1.1: Hybrid Reverse Monte Carlo method with silicon and carbon potentials', Computer Physics Communications, vol. 182, no. 2, pp. 542-542. 55   1 0 0
Morishita, T, Spencer, M, Russo, S, Snook, I and Mikami, M 2011, 'Surface reconstruction of ultrathin silicon nanosheets', Chemical Physics Letters, vol. 506, no. 4Jun, pp. 221-225. 100   39 Cited 33 times in Scopus33 0
Morishita, T, Russo, S, Snook, I, Spencer, M, Nishio, K and Mikami, M 2010, 'First-principles study of structural and electronic properties of ultrathin silicon nanosheets', Physical Review B - Condensed Matter and Materials Physics, vol. 82, no. 4, pp. 1-7. 169   38 Cited 28 times in Scopus28 0
Grochola, G, Russo, S and Snook, I 2010, 'A modified embedded atom method interatomic potential for alloy SiGe', Chemical Physics Letters, vol. 493, no. 40238, pp. 57-60. 285   4 Cited 3 times in Scopus3 0
Chui, Y, Sengupta, S, Snook, I and Binder, K 2010, 'The observation of formation and annihilation of solitons and standing strain wave superstructures in a two-dimensional colloidal crystal', Journal of Chemical Physics, vol. 132, no. 7, pp. 1-8. 164   13 Cited 13 times in Scopus13 0
Schilling, T, Schope, H, Oettel, M, Opletal, G and Snook, I 2010, 'Precursor-Mediated Crystallization Process in Suspensions of Hard Spheres', Physical Review Letters, vol. 105, no. 2, pp. 1-4. 65   134 Cited 111 times in Scopus111 0
Chui, Y, Sengupta, S, Snook, I and Binder, K 2010, 'Effective interactions and melting of a one-dimensional defect lattice within a two-dimensional confined colloidal solid', Physical Review E, vol. 81, no. 2, pp. 1-4. 75   7 Cited 6 times in Scopus6 0
Barnard, A and Snook, I 2010, 'Transformation of graphene into graphane in the absence of hydrogen', Carbon, vol. 48, no. 4, pp. 981-986. 228   25 Cited 24 times in Scopus24 0
Seyed Razavi, A, Snook, I and Barnard, A 2010, 'Origin of nanomorphology: Does a complete theory of nanoparticle evolution exist?', Journal of Materials Chemistry, vol. 20, no. 3, pp. 416-421. 172   57 Cited 50 times in Scopus50 3
Prathiraja, P, Daivis, P and Snook, I 2010, 'A molecular simulation study of shear viscosity and thermal conductivity of liquid carbon disulphide', Journal Of Molecular Liquids, vol. 154, no. 1, pp. 6-13. 279   3 Cited 2 times in Scopus2 0
Schilling, T, Schope, H, Oettel, M, Opletal, G and Snook, I 2010, 'Precursor-mediated crystallization in suspensions of hard spheres', Physical Review Letters, vol. 105, no. 2, pp. 1-4. 55   134 Cited 111 times in Scopus111 0
Barnard, A and Snook, I 2010, 'Size and shape dependence of the graphene to graphane transformation in the absence of hydrogen', Journal of Materials Chemistry, vol. 20, no. 46, pp. 10459-10464. 110   23 Cited 21 times in Scopus21 0
Snook, I, Per, M, Seyed Razavi, A and Russo, S 2009, 'Some comments on the DFT plus D method', Chem. Phys. Letters, vol. 480, no. 46, pp. 327-329. 344   9 Cited 8 times in Scopus8
Opletal, G, Feigl, C, Grochola, G, Snook, I and Russo, S 2009, 'Elucidation of surface driven crystallization of icosahedral clusters', Chemical Physics Letters, vol. 482, no. 46, pp. 281-286. 64   6 Cited 5 times in Scopus5
Feigl, C, Grochola, G, Opletal, G, Snook, I and Russo, S 2009, 'A theoretical study of size and temperature dependent morphology transformations in gold nanoparticles', Chemical Physics Letters, vol. 474, no. 01Mar, pp. 115-118. 144   3 Cited 4 times in Scopus4 0
Per, M, Russo, S and Snook, I 2009, 'Anisotropic intracule densities and electron correlation in H2: A quantum Monte Carlo study', Journal of Chemical Physics, vol. 130, no. 13. 166   Cited 19 times in Scopus19 0
Chui, Y, Opletal, G, Snook, I and Russo, S 2009, 'Modeling the crystallization of gold nanoclusters - The effect of the potential energy function.', Journal of Physics Condensed Matter, vol. 21, no. 14, pp. 1-8. 61   4 Cited 4 times in Scopus4 0
Grochola, G, Snook, I and Russo, S 2009, 'Self-ordering behavior on patterned model surfaces', Journal of Physical Chemistry C, vol. 113, no. 18, pp. 7541-7547. 109   6 Cited 6 times in Scopus6 0
Snook, I, Daivis, P and Kairn, T 2008, 'The flow of colloids and polymers in channels simulated using non-equilibrium molecular dynamics', Journal of Physics: Condensed Matter, vol. 20, pp. 1-8. 208   3 Cited 2 times in Scopus2 0
Springall, R, Per, M, Russo, S and Snook, I 2008, 'Quantum Monte Carlo calculations of the potential energy curve of the helium dimer', Journal of Chemical Physics, vol. 128, no. 11, pp. 114308-1-114308-4. 143   9 Cited 9 times in Scopus9 0
Barnard, A and Snook, I 2008, 'Thermal stability of graphene edge structure and graphene nanoflakes', Journal of Chemical Physics, vol. 128, no. 9, pp. 1-7. 234   61 Cited 60 times in Scopus60 3
Wilson, D, Wilson, N, Snook, I and Russo, S 2008, 'The magnetic properties of CoPt, bulk and ultra-thin films: An ab initio study', Journal of Computational and Theoretical Nanoscience, vol. 5, no. 1, pp. 44-47. 125   1 0 0
Grochola, G, Snook, I and Russo, S 2008, 'Influence of substrate morphology on the growth of gold nanoparticles', Journal of Chemical Physics, vol. 129, pp. 154708-1-154708-14. 115   5 Cited 4 times in Scopus4 0
Opletal, G, Petersen, T, O'Malley, B, Snook, I, McCulloch, D and Yarovsky, I 2008, 'HRMC: Hybrid reverse Monte Carlo method with silicon and carbon potentials', Computer Physics Communications, vol. 178, pp. 777-787. 271   26 Cited 25 times in Scopus25 0
Barnard, A, Opletal, G, Snook, I and Russo, S 2008, 'Ideality versus reality: Emergence of the Chui icosahedron', Journal of Physical Chemistry C, vol. 112, no. 38, pp. 14848-14852. 90   10 Cited 8 times in Scopus8 0
Snook, I, Per, M and Russo, S 2008, 'An analysis of the correlation energy contribution to the interaction energy of inert gas dimers', Journal of Chemical Physics, vol. 129, no. 16, pp. 1-1. 241   4 Cited 3 times in Scopus3 0
Per, M, Russo, S and Snook, I 2008, 'Electron-nucleus cusp correction and forces in quantum Monte Carlo', Journal of Chemical Physics, vol. 128, no. 11, pp. 114106-1-114106-6. 151   19 Cited 17 times in Scopus17 0
Chui, Y, Grochola, G, Snook, I and Russo, S 2007, 'Molecular dynamics investigation of the structural and thermodynamic properties of gold nanoclusters of different morphologies', Physical Review B, vol. 75, pp. 1-4. 96   34 Cited 32 times in Scopus32 0
Grochola, G, Russo, S and Snook, I 2007, 'On the formation mechanism of the "pancake" decahedron gold nanoparticle', Journal of Chemical Physics, vol. 127, no. 22, pp. 224705-224711. 73   10 Cited 13 times in Scopus13
Grochola, G, Snook, I and Russo, S 2007, 'Computational modeling of nanorod growth', Journal Of Chemical Physics, vol. 127, no. 19, pp. 4707-4707-13. 153   35 Cited 32 times in Scopus32 0
Opletal, G, Petersen, T, Snook, I and McCulloch, D 2007, 'Modeling of structure and porosity in amorphous silicon systems using Monte Carlo methods', Journal Of Chemical Physics, vol. 126, pp. 1-7. 182   8 Cited 9 times in Scopus9 0
Grochola, G, Snook, I and Russo, S 2007, 'On the relative stabilities of gold nanoparticles', Journal of Chemical Physics, vol. 127, no. 22, pp. 224704-224711. 52   21 Cited 21 times in Scopus21
Chui, Y, Snook, I and Russo, S 2007, 'Visualization and analysis of structural ordering during crystallization of a gold nanoparticle', Physical Review B, vol. 76, pp. 195427-1-195427-6. 179   21 Cited 21 times in Scopus21 0
Springall, R, Per, M and Snook, I 2007, 'Evaluation of the permutational structure of quantum gases at finite temperature', Physical Review E, vol. 75, pp. 1-8. 142   1 0 0
Barnard, A, Snook, I and Russo, S 2007, 'Bonding and structure in BxNy nanotubes (x,y=1,2)', Journal of Materials Chemistry, vol. 17, pp. 2892-2898. 98   10 Cited 11 times in Scopus11 0
Petersen, T, Snook, I, Yarovsky, I, McCulloch, D and O'Malley, B 2007, 'Curved-surface atomic modeling of nanoporous carbon', Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, vol. 111, pp. 802-812. 158   19 Cited 15 times in Scopus15 0
Grochola, G, Russo, S and Snook, I 2007, 'On morphologies of gold nanoparticles grown from molecular dynamics simulation', Journal of Chemical Physics, vol. 126, pp. 1-8. 118   26 Cited 25 times in Scopus25 0
Chui, Y, Grochola, G, Snook, I and Russo, S 2007, 'Theoretical study of gold nanostructures with unusual morphologies', Journal Of Computational And Theoretical Nanoscience, vol. 4, pp. 291-298. 168   2 Cited 3 times in Scopus3 0
Petersen, T, Snook, I, Yarovsky, I, McCulloch, D and O'Malley, B 2007, 'Curved-surface atomic modelling of nano-porous carbon', The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, vol. C2007, no. 111, pp. 802-812. 147   19 Cited 15 times in Scopus15 0
Benedek, N, Latham, K, Snook, I and Yarovsky, I 2006, 'Density functional theory study of hydrogen bonding in ionic molecular materials', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 110, no. 39, pp. 19605-19610. 147   Cited 4 times in Scopus4 0
Grochola, G, Chui, Y, Snook, I and Russo, S 2006, 'Exploring the effects of different immersion environments on the growth of gold nanostructures', Molecular Simulation, vol. 32, no. 15, pp. 1255-1260. 151   Cited 5 times in Scopus5 0
Spencer, M, Snook, I and Yarovsky, I 2006, 'Effect of S arrangement on Fe(110) properties at 1/3 monolayer coverage: A DFT study', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 110, no. 2, pp. 956-962. 212   Cited 15 times in Scopus15 0
Mcphie, M, Daivis, P and Snook, I 2006, 'Viscosity of a binary mixture: Approach to the hydrodynamic limit', Physical Review E, vol. 74, no. 3, pp. 031201-1-031201-13. 188   Cited 19 times in Scopus19 0
Williams, S, Bryant, G, Snook, I and Van Megen, W 2006, 'Velocity autocorrelation functions of hard-sphere fluids: Long-time tails upon undercooling', Physical Review Letters, vol. 96, no. 8, pp. 087801-1-087801-4. 269 514 35 Cited 28 times in Scopus28 0
Chui, Y, Rees, R, Snook, I, O'Malley, B and Russo, S 2006, 'Topological characterization of crystallization of gold nanoclusters', Journal Of Chemical Physics, vol. 125, no. 11, pp. 114703-1-114703-4. 205   Cited 21 times in Scopus21 0
Williams, S, McGlynn, P, Bryant, G, Snook, I and Van Megen, W 2006, 'Dynamical signatures of freezing: Stable fluids, metastable fluids, and crystals', Physical Review E, vol. 74, no. 3, pp. 031204-1-031204-7. 186 109 9 Cited 9 times in Scopus9 0
Benedek, N, Snook, I, Towler, M and Needs, R 2006, 'Quantum Monte Carlo calculations of the dissociation energy of the water dimer', Journal Of Chemical Physics, vol. 125, pp. 104302-1-104302-5. 139   Cited 36 times in Scopus36 0
Grochola, G, Russo, S and Snook, I 2005, 'On fitting a gold embedded atom method potential using the force matching method', Journal of Chemical Physics, vol. 123, no. 20, pp. 1-7. 182   Cited 104 times in Scopus104 0
Barnard, A, Russo, S and Snook, I 2005, 'First-principles modeling of dopants in C-29 and C29H24 nanodiamonds', Journal Of Physical Chemistry B, vol. 109, pp. 11991-11995. 100   Cited 9 times in Scopus9 0
Benedek, N, Snook, I, Latham, K and Yarovsky, I 2005, 'Application of numerical basis sets to hydrogen bonded systems: A density functional theory study', Journal of Chemical Physics, vol. 122, no. 14, pp. 1-8. 338   95 Cited 69 times in Scopus69 0
Petersen, T, Snook, I, Yarovsky, I and McCulloch, D 2005, 'Monte Carlo based modeling of carbon nanostructured surfaces', Physical Review B, vol. 72, pp. 125417-125429. 233   8 Cited 8 times in Scopus8 0
Opletal, G, Petersen, T, McCulloch, D, Snook, I and Yarovsky, I 2005, 'The structure of disordered carbon solids studied using a hybrid reverse Monte Carlo algorithm', Journal of Physics: Condensed Matter, vol. 17, no. 17, pp. 2605-2616. 243   33 Cited 28 times in Scopus28 0
O'Malley, B and Snook, I 2005, 'Structure of hard-sphere fluid and precursor structures to crystallization', Journal of Chemical Physics, vol. 123, no. 5, pp. 1-12. 159   Cited 28 times in Scopus28 0
Barnard, A, Russo, S and Snook, I 2005, 'Visualization of hybridization in nanocarbon systems', Journal of Computational And Theoretical Nanoscience, vol. 2, no. 1, pp. 1-7. 181   Cited 15 times in Scopus15 0
Grochola, G, Snook, I and Russo, S 2005, 'On the computational calculation of surface free energies for the disordered semihexagonal reconstructed Au(100) surface', Journal of Chemical Physics, vol. 122, no. 17, pp. 1-5. 104   Cited 8 times in Scopus8 0
Spencer, M, Snook, I and Yarovsky, I 2005, 'Effect on sulfur coverage on Fe(110) adhesion: A DFT study', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 109, pp. 10204-10212. 198   Cited 6 times in Scopus6 0
Nelson, S, Spencer, M, Snook, I and Yarovsky, I 2005, 'Effect of S contamination on properties of Fe(100) surfaces', Surface Science, vol. 590, pp. 63-75. 154   Cited 15 times in Scopus15 0
Grochola, G, du Plessis, J, Snook, I and Russo, S 2005, 'On the computational calculation of adatom, vacancy and early stage surface nucleation island free energies on the (111) copper surface', Surface Science, vol. 591, pp. 32-37. 78   Cited 1 times in Scopus1 0
Snook, I, Barnard, A, Russo, S, Springall, R and Srbinovsky, J 2005, 'Simulating nano-carbon materials', Molecular Simulation, vol. 31, pp. 495-504. 91   Cited 3 times in Scopus3 0
Spencer, M, Snook, I and Yarovsky, I 2005, 'Coverage-dependent adsorption of atomic sulfur on Fe(110): A DFT study', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 109, pp. 9604-9612. 329   20 Cited 13 times in Scopus13 0
Barnard, A, Russo, S and Snook, I 2005, 'Modeling of stability and phase transformations in quasi-zero dimensional nanocarbon systems', Journal of Computational and Theoretical Nanoscience, vol. 2, pp. 180-201. 69   Cited 29 times in Scopus29 0
Petersen, T, McBride, W, McCulloch, D, Snook, I and Yarovsky, I 2005, 'Refinements in the collection of energy filtered diffraction patterns from disordered materials', Ultramicroscopy, vol. 103, pp. 275-283. 240   14 Cited 14 times in Scopus14 0
Grochola, G, Snook, I and Russo, S 2005, 'Application of the constrained fluid lambda-integration path to the calculation of high temperature Au(110) surface free energies', Journal of Chemical Physics, vol. 122, no. 6, pp. 1-7. 225   Cited 10 times in Scopus10 0
Barnard, A, Russo, S and Snook, I 2005, 'Simulation and bonding of dopants in nanocrystalline diamond', Journal of Nanoscience and Nanotechnology, vol. 5, no. 9, pp. 1395-1407. 115   Cited 5 times in Scopus5 0
Grochola, G, Russo, S and Snook, I 2004, 'On computer simulation methods for calculating 'exact' surface formation free energies of steps and (1x2) missing row reconstructions', Surface Science, vol. 560, pp. 226-234. 108   Cited 6 times in Scopus6 0
Barnard, A, Russo, S and Snook, I 2004, 'Bucky wires and the instability of diamond (111) surfaces in one dimension', Journal of Nanoscience and Nanotechnology, vol. 4, pp. 151-156. 156   Cited 18 times in Scopus18 0
Spencer, M, Snook, I and Yarovsky, I 2004, 'Effect of sulfur impurity on Fe(110) adhesion: A DFT study', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 108, pp. 10965-10972. 198   Cited 10 times in Scopus10 0
Grochola, G, Russo, S, Yarovsky, I and Snook, I 2004, 'Exact surface free energies of iron surfaces using a modified embedded atom method potential and lambda integration', Journal of Chemical Physics, vol. 120, pp. 3425-3430. 113   Cited 17 times in Scopus17 0
Kairn, T, Daivis, P, Matin, M and Snook, I 2004, 'Effects of concentration on steady state viscometric properties of short chain polymer solutions over the entire concentration range', International Journal of Thermophysics, vol. 25, pp. 1075-1084. 142   Cited 6 times in Scopus6 0
Barnard, A, Bath, P, Russo, S and Snook, I 2004, 'A Monte Carlo study of surface reconstruction in (100) and (111) diamond surfaces and nanodiamond', Molecular Simulation, vol. 30, pp. 1-8. 281   Cited 1 times in Scopus1 0
Kairn, T, Daivis, P, Matin, M and Snook, I 2004, 'Concentration dependence of viscometric properties of model short chain polymer solutions', Polymer, vol. 45, pp. 2453-2464. 179   18 Cited 16 times in Scopus16 0
Benedek, N, Yarovsky, I, Latham, K and Snook, I 2004, 'Quantum Monte Carlo study of water molecule: A preliminary investigation', Australian Journal of Chemistry, vol. 57, no. 12, pp. 1229-1232. 235   Cited 1 times in Scopus1 0
Petersen, T, Yarovsky, I, Snook, I, McCulloch, D and Opletal, G 2004, 'Microstructure of an industrial char by diffraction techniques and reverse Monte Carlo modelling', Carbon, vol. 42, pp. 2457-2469. 258   Cited 47 times in Scopus47 0
Barnard, A, Russo, S and Snook, I 2004, 'From nanodiamond to diamond nanowires: Structural properties affected by dimension', Philosophical Magazine, vol. 84, no. 9, pp. 899-907. 171   Cited 12 times in Scopus12 0
Barnard, A and Snook, I 2004, 'Phase stability of nanocarbon in one dimension: Nanotubes versus diamond nanowires', Journal of Chemical Physics, vol. 120, no. 8, pp. 3817-3821. 58   42 Cited 47 times in Scopus47 0
O'Malley, B and Snook, I 2003, 'Crystal nucleation in the hard sphere system', Physical Review Letters, vol. 90, pp. 85702-85705. 139   Cited 112 times in Scopus112
Spencer, M, Hung, A, Snook, I and Yarovsky, I 2003, 'Iron surfaces: pathways to interfaces', Surface Review and Letters, vol. 10, pp. 169-174. 80   Cited 8 times in Scopus8 0
Barnard, A, Russo, S and Snook, I 2003, 'Ab initio modelling of the stability of nanocrystalline diamond morphologies', Philosophical Magazine Letters, vol. 83, no. 1, pp. 39-45. 349   Cited 57 times in Scopus57 0
Barnard, A, Russo, S and Snook, I 2003, 'Ab initio modelling of diamond nanowire structures', Nano letters, vol. 3, no. 3, pp. 1323-1328. 352   Cited 66 times in Scopus66 0
Spencer, M, Hung, A, Snook, I and Yarovsky, I 2003, 'Sulfur adsorption on Fe(110): a DFT study', Surface Science, vol. 540, no. 2-3, pp. 420-430. 126   Cited 32 times in Scopus32 0
Barnard, A, Russo, S and Snook, I 2003, 'Structural relaxation and relative stability of nanodiamond morphologies', Diamond and Related Materials, vol. 12, no. 10-11, pp. 1867-1872. 110   Cited 81 times in Scopus81 0
Barnard, A, Russo, S and Snook, I 2003, 'Ab initio modelling of B and N in C29 and C29H24 nanodiamond', Journal of Chemical Physics, vol. 118, no. 23, pp. 10725-10728. 368   Cited 21 times in Scopus21 0
Barnard, A, Russo, S and Snook, I 2003, 'Size dependent phase stability of carbon nanoparticles: nanodiamond versus fullerenes', Journal of Chemical Physics, vol. 118, no. 11, pp. 5094-5097. 58   Cited 92 times in Scopus92 0
Petersen, T, Yarovsky, I, Snook, I, McCulloch, D and Opletal, G 2003, 'Structural analysis of carbonaceous solids using an adapted reverse Monte Carlo algorithm', Carbon, vol. 41, no. 12, pp. 2403-2411. 184   Cited 45 times in Scopus45 0
Barnard, A, Russo, S and Snook, I 2003, 'Ab initio modelling of dopants in diamond nanowires: II', Philosophical Magazine, vol. 83, no. 19, pp. 2311-2321. 396   Cited 7 times in Scopus7
Rees, R, Mainwaring, D and Snook, I 2003, 'Modelling the liquid-gas-like interface of simple fluid films confined to nanopores: By molecular simulation', Journal of Molecular Liquids, vol. 103-104, no. March, pp. 423-440. 50   Cited 1 times in Scopus1 0
Snook, I, O'Malley, B, McPhie, M and Daivis, P 2003, 'The approach to the Brownian limit in particulate dispersions', Journal of Molecular Liquids, vol. 103-104, pp. 405-421. 75   Cited 13 times in Scopus13 0
Barnard, A, Russo, S and Snook, I 2003, 'Surface structure of cubic diamond nanowires', Surface Science, vol. 538, no. 3, pp. 204-210. 118   Cited 21 times in Scopus21 0
Barnard, A, Russo, S and Snook, I 2003, 'Electronic band gaps of diamond nanowires', Physical Review B, vol. 68, pp. 235407-1-235407-6. 92   Cited 36 times in Scopus36 0
Barnard, A, Russo, S and Snook, I 2003, 'First principles investigations of diamond ultrananocrystals', International Journal of Modern Physics B, vol. 17, pp. 3865-3879. 115   Cited 29 times in Scopus29 0
Barnard, A, Russo, S and Snook, I 2003, 'Ab initio modelling of boron and nitrogen in diamond nanowires', Philosophical Magazine, vol. 83, no. 19, pp. 2301-2309. 401   Cited 8 times in Scopus8 0
Russo, S, Barnard, A and Snook, I 2003, 'Hydrogenation of nanodiamond surfaces: structure and effects on crystalline stability', Surface Review and Letters, vol. 10, no. 2/3, pp. 233-239. 115   Cited 33 times in Scopus33 0
Barnard, A, Russo, S and Snook, I 2003, 'Coexistence of bucky diamond with nanodiamond and fullerene carbon phases', Physical Review B, vol. 68, pp. 073406-1-073406-4. 169   Cited 99 times in Scopus99 0
Barnard, A, Russo, S and Snook, I 2003, 'Ab initio modelling of band states in doped diamond', Philosophical Magazine, vol. 83, no. 9, pp. 1163-1174. 415   Cited 19 times in Scopus19 0
McMahon, P, Snook, I and Treimer, W 2002, 'The pore structure in processed Victorian brown coal', Journal of Colloid and Interface Science, vol. 252, no. 1, pp. 177-183. 123   12 Cited 13 times in Scopus13 0
Bryant, G, Williams, S, Snook, I, Linmao, Q, Pincet, F and Perez, E 2002, 'How hard is a colloidal 'hard-sphere' interaction?', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 66, no. 6, 060501, pp. 060501-1-060501-4. 63 22 82 Cited 81 times in Scopus81 0
Williams, S, Snook, I and Van Megen, W 2001, 'Molecular dynamics study of the stability of the hard sphere glass', Physical Review E, vol. 64, no. 2, pp. 0215061-0215067. 133   0
McPhie, M, Daivis, P, Snook, I, Ennis, J and Evans, D 2001, 'Generalized Langevin equation for nonequilibrium systems', Physica A, vol. 299, no. 3-4, pp. 412-426. 147   Cited 14 times in Scopus14 0
McDonough, A, Russo, S and Snook, I 2001, 'Long-time behaviour of the velocity autocorrelation function for moderately dense, soft-repulsive, and Lennard-Jones fluids', Physical Review E, vol. 63, no. 2, pp. 0261091-0261099. 94   0
Conference Papers (1)
Daivis, P, Snook, I, Matin, M, Kairn, T and McPhie, M 2004, 'Computer simulation studies of the rheology of soft condensed matter', in Proceedings of the 28th Annual Condensed Matter and Materials Meeting, Wagga Wagga, Australia, 3-6 February 2004. 100  
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