





Books (1)

Snook, I 2007, The Langevin and generalised Langevin approach to the dynamics of atomic, polymeric and colloidal systems, Elsevier, Amsterdam, The Netherlands.

287 




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. 515559.

362 




Barnard, A, Russo, S and Snook, I 2005, 'Modeling of stability and phase transformations in zero and onedimensional nanocarbon systems' in Michael Rieth, W. Schommers (ed.) Handbook of Theoretical and Computational Nanotechnology, American Scientific Publishers, USA, pp. 150.

149 




Journal Articles (130)

Per, M, Barnard, A and Snook, I 2016, 'Highthroughput simulation of the configuration and ionisation potential of nitrogendoped graphene', Molecular Simulation, vol. 42, no. 42557, pp. 458462.

18 

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. 484493.

54 

2

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 twodimensional Si material', Journal of Materials Chemistry A, vol. 20, pp. 75887592.

198 

25

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. 18.

77 

1

Cited 1 times in Scopus1

0

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. 112.

48 

8

0

0

Shi, H, Barnard, A and Snook, I 2013, 'Sitedependent stability and electronic structure of single vacancy point defects in hexagonal graphene nanoflakes', Physical Chemistry Chemical Physics, vol. 15, no. 14, pp. 48974905.

70 

10

Cited 10 times in Scopus10


Spencer, M, Bassett, M, Morishita, T, Snook, I and Nakano, H 2013, 'Interactions between stacked layers of phenylmodified silicene', New Journal of Physics, vol. 15, pp. 112.

73 

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. 2214222148.

176 

43

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. 1537515382.

43 

12

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. 19461957.

51 

15

Cited 12 times in Scopus12

0

Miller, N, Daivis, P, Snook, I and Todd, B 2013, 'Computation of thermodynamic and transport properties to predict thermophoretic effects in an argonkrypton mixture', The Journal of Chemical Physics, vol. 139, no. 14, 144504, pp. 110.

167 
199 


1

Wilms, D, Virnau, P, Snook, I and Binder, K 2012, 'Motion, relaxation dynamics, and diffusion processes in twodimensional colloidal crystals confined between walls', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 86, no. 5, 051404, pp. 114.

42 

3

Cited 3 times in Scopus3

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. 11671170.

67 

15

Cited 13 times in Scopus13

1

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. 1811918123.

70 

16

Cited 16 times in Scopus16

6

Shi, H, Bernard, A and Snook, I 2012, 'Quantum mechanical properties of graphene nanoflakes and quantum dots', Nanoscale, vol. 4, no. 21, pp. 67616767.

154 

26


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. 19.

79 

22

Cited 20 times in Scopus20

2

Grochola, G, Snook, I and Russo, S 2012, 'Modelling selfordering behaviour on Ag covered Pt vicinal surfaces', Surface Science, vol. 606, no. 2122, pp. 15651572.

58 

2

Cited 2 times in Scopus2

0

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. 14.

113 

6

Cited 2 times in Scopus2

0

Snook, I and Barnard, A 2011, 'Theory, experiment and applications of graphene nanoflakes', Journal of Nanoscience Letters, vol. 1, no. 1, pp. 5060.

135 




Snook, I 2011, 'The scientific contributions of Edgar R. Smith', Molecular Simulation, vol. 37, no. 4, pp. 260263.

89 


0

0

Rees, R, Snook, I and Smith, E 2011, 'The use of analytic continuation to increase the accuracy in modelling fluidsurface interactions in cylindrical nanopores', Molecular Simulation, vol. 37, no. 4, pp. 310320.

84 

1

Cited 1 times in Scopus1

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. 158165.

94 

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. 5962.

114 

9

Cited 10 times in Scopus10

0

Grochola, G, Snook, I and Russo, S 2011, 'Controlling the selfordering behaviour of nanostructures on patterned substrates', Philosophical Magazine, vol. 91, no. 11, pp. 15401556.

142 

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. 1541815422.

145 

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 nanoflakes', Modelling And Simulation In Materials Science And Engineering, vol. 19, no. 5, pp. 112.

93 

44

Cited 41 times in Scopus41

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. 542542.

69 

2

0

0

Per, M, Snook, I and Russo, S 2011, 'Zerovariance zerobias quantum Monte Carlo estimators for the electron density at a nucleus', Journal of Chemical Physics, vol. 135, no. 13, pp. 17.

150 

2

Cited 2 times in Scopus2

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. 43754380.

117 

20

Cited 14 times in Scopus14

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. 110.

111 

2

Cited 2 times in Scopus2

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. 221225.

119 

41

Cited 33 times in Scopus33

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 PhysicsCondensed Matter, vol. 23, no. 1, pp. 111.

249 

3

Cited 3 times in Scopus3

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. 111.

263 



0

Schilling, T, Schope, H, Oettel, M, Opletal, G and Snook, I 2010, 'Precursormediated crystallization in suspensions of hard spheres', Physical Review Letters, vol. 105, no. 2, pp. 14.

60 

141

Cited 111 times in Scopus111

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. 416421.

199 

58

Cited 50 times in Scopus50

3

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. 1045910464.

125 

23

Cited 21 times in Scopus21

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. 5760.

301 

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 twodimensional colloidal crystal', Journal of Chemical Physics, vol. 132, no. 7, pp. 18.

177 

13

Cited 13 times in Scopus13

0

Morishita, T, Russo, S, Snook, I, Spencer, M, Nishio, K and Mikami, M 2010, 'Firstprinciples study of structural and electronic properties of ultrathin silicon nanosheets', Physical Review B  Condensed Matter and Materials Physics, vol. 82, no. 4, pp. 17.

187 

40

Cited 28 times in Scopus28

0

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. 613.

295 

3

Cited 2 times in Scopus2

0

Chui, Y, Sengupta, S, Snook, I and Binder, K 2010, 'Effective interactions and melting of a onedimensional defect lattice within a twodimensional confined colloidal solid', Physical Review E, vol. 81, no. 2, pp. 14.

90 

7

Cited 6 times in Scopus6

0

Schilling, T, Schope, H, Oettel, M, Opletal, G and Snook, I 2010, 'PrecursorMediated Crystallization Process in Suspensions of Hard Spheres', Physical Review Letters, vol. 105, no. 2, pp. 14.

79 

141

Cited 111 times in Scopus111

0

Barnard, A and Snook, I 2010, 'Transformation of graphene into graphane in the absence of hydrogen', Carbon, vol. 48, no. 4, pp. 981986.

245 

25

Cited 24 times in Scopus24

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.

178 


Cited 19 times in Scopus19

0

Grochola, G, Snook, I and Russo, S 2009, 'Selfordering behavior on patterned model surfaces', Journal of Physical Chemistry C, vol. 113, no. 18, pp. 75417547.

140 

6

Cited 6 times in Scopus6

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. 327329.

366 

10

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. 281286.

78 

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. 115118.

161 

3

Cited 4 times in Scopus4

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. 18.

75 

4

Cited 4 times in Scopus4

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. 11430811143084.

167 

9

Cited 9 times in Scopus9

0

Wilson, D, Wilson, N, Snook, I and Russo, S 2008, 'The magnetic properties of CoPt, bulk and ultrathin films: An ab initio study', Journal of Computational and Theoretical Nanoscience, vol. 5, no. 1, pp. 4447.

138 

1

0

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. 17.

263 

62

Cited 60 times in Scopus60

3

Per, M, Russo, S and Snook, I 2008, 'Electronnucleus cusp correction and forces in quantum Monte Carlo', Journal of Chemical Physics, vol. 128, no. 11, pp. 11410611141066.

164 

19

Cited 17 times in Scopus17

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. 1484814852.

117 

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. 11.

254 

4

Cited 3 times in Scopus3

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. 154708115470814.

129 

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. 777787.

287 

28

Cited 25 times in Scopus25

0

Snook, I, Daivis, P and Kairn, T 2008, 'The flow of colloids and polymers in channels simulated using nonequilibrium molecular dynamics', Journal of Physics: Condensed Matter, vol. 20, pp. 18.

232 

3

Cited 2 times in Scopus2

0

Petersen, T, Snook, I, Yarovsky, I, McCulloch, D and O'Malley, B 2007, 'Curvedsurface atomic modelling of nanoporous carbon', The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, vol. C2007, no. 111, pp. 802812.

157 

20

Cited 15 times in Scopus15

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. 291298.

182 

3

Cited 3 times in Scopus3

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. 224705224711.

77 

10

Cited 13 times in Scopus13


Grochola, G, Snook, I and Russo, S 2007, 'On the relative stabilities of gold nanoparticles', Journal of Chemical Physics, vol. 127, no. 22, pp. 224704224711.

67 

21

Cited 21 times in Scopus21


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. 18.

160 

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. 28922898.

116 

10

Cited 11 times in Scopus11

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. 18.

131 

26

Cited 25 times in Scopus25

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. 17.

201 

11

Cited 9 times in Scopus9

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. 14.

110 

34

Cited 32 times in Scopus32

0

Grochola, G, Snook, I and Russo, S 2007, 'Computational modeling of nanorod growth', Journal Of Chemical Physics, vol. 127, no. 19, pp. 4707470713.

170 

36

Cited 32 times in Scopus32

0

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. 19542711954276.

199 

21

Cited 21 times in Scopus21

0

Petersen, T, Snook, I, Yarovsky, I, McCulloch, D and O'Malley, B 2007, 'Curvedsurface atomic modeling of nanoporous carbon', Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, vol. 111, pp. 802812.

176 

20

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. 031201103120113.

203 


Cited 19 times in Scopus19

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. 12551260.

168 


Cited 5 times in Scopus5

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. 10430211043025.

156 


Cited 36 times in Scopus36

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. 1960519610.

161 


Cited 4 times in Scopus4

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. 956962.

226 


Cited 15 times in Scopus15

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. 03120410312047.

201 
167 
9

Cited 9 times in Scopus9

0

Williams, S, Bryant, G, Snook, I and Van Megen, W 2006, 'Velocity autocorrelation functions of hardsphere fluids: Longtime tails upon undercooling', Physical Review Letters, vol. 96, no. 8, pp. 08780110878014.

284 
575 
38

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. 11470311147034.

230 


Cited 21 times in Scopus21

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. 17.

201 


Cited 104 times in Scopus104

0

Barnard, A, Russo, S and Snook, I 2005, 'Firstprinciples modeling of dopants in C29 and C29H24 nanodiamonds', Journal Of Physical Chemistry B, vol. 109, pp. 1199111995.

117 


Cited 9 times in Scopus9

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. 1020410212.

215 


Cited 6 times in Scopus6

0

O'Malley, B and Snook, I 2005, 'Structure of hardsphere fluid and precursor structures to crystallization', Journal of Chemical Physics, vol. 123, no. 5, pp. 112.

185 


Cited 28 times in Scopus28

0

Barnard, A, Russo, S and Snook, I 2005, 'Modeling of stability and phase transformations in quasizero dimensional nanocarbon systems', Journal of Computational and Theoretical Nanoscience, vol. 2, pp. 180201.

81 


Cited 29 times in Scopus29

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. 13951407.

130 


Cited 5 times in Scopus5

0

Grochola, G, Snook, I and Russo, S 2005, 'Application of the constrained fluid lambdaintegration path to the calculation of high temperature Au(110) surface free energies', Journal of Chemical Physics, vol. 122, no. 6, pp. 17.

230 


Cited 10 times in Scopus10

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. 6375.

168 


Cited 15 times in Scopus15

0

Snook, I, Barnard, A, Russo, S, Springall, R and Srbinovsky, J 2005, 'Simulating nanocarbon materials', Molecular Simulation, vol. 31, pp. 495504.

107 


Cited 3 times in Scopus3

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. 15.

118 


Cited 8 times in Scopus8

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. 3237.

94 


Cited 1 times in Scopus1

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. 17.

185 


Cited 15 times in Scopus15

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. 26052616.

257 

34

Cited 28 times in Scopus28

0

Spencer, M, Snook, I and Yarovsky, I 2005, 'Coveragedependent 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. 96049612.

343 

21

Cited 13 times in Scopus13

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. 18.

354 

100

Cited 69 times in Scopus69

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. 275283.

254 

15

Cited 14 times in Scopus14

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. 125417125429.

248 

9

Cited 8 times in Scopus8

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. 226234.

124 


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. 18.

301 


Cited 1 times in Scopus1

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. 899907.

191 


Cited 12 times in Scopus12

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. 10751084.

157 


Cited 6 times in Scopus6

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. 1096510972.

209 


Cited 10 times in Scopus10

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. 12291232.

251 


Cited 1 times in Scopus1

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. 34253430.

118 


Cited 17 times in Scopus17

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. 24572469.

276 


Cited 47 times in Scopus47

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. 38173821.

74 

44

Cited 47 times in Scopus47

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. 24532464.

196 

18

Cited 16 times in Scopus16

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. 151156.

172 


Cited 18 times in Scopus18

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. 24032411.

200 


Cited 45 times in Scopus45

0

Barnard, A, Russo, S and Snook, I 2003, 'Surface structure of cubic diamond nanowires', Surface Science, vol. 538, no. 3, pp. 204210.

132 


Cited 21 times in Scopus21

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. 103104, pp. 405421.

90 


Cited 13 times in Scopus13

0

Barnard, A, Russo, S and Snook, I 2003, 'Electronic band gaps of diamond nanowires', Physical Review B, vol. 68, pp. 23540712354076.

111 


Cited 36 times in Scopus36

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. 1072510728.

376 


Cited 21 times in Scopus21

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. 3945.

365 


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. 13231328.

358 


Cited 66 times in Scopus66

0

Barnard, A, Russo, S and Snook, I 2003, 'Structural relaxation and relative stability of nanodiamond morphologies', Diamond and Related Materials, vol. 12, no. 1011, pp. 18671872.

124 


Cited 81 times in Scopus81

0

Rees, R, Mainwaring, D and Snook, I 2003, 'Modelling the liquidgaslike interface of simple fluid films confined to nanopores: By molecular simulation', Journal of Molecular Liquids, vol. 103104, no. March, pp. 423440.

63 


Cited 1 times in Scopus1

0

Spencer, M, Hung, A, Snook, I and Yarovsky, I 2003, 'Sulfur adsorption on Fe(110): a DFT study', Surface Science, vol. 540, no. 23, pp. 420430.

143 


Cited 32 times in Scopus32

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. 50945097.

72 


Cited 92 times in Scopus92

0

Spencer, M, Hung, A, Snook, I and Yarovsky, I 2003, 'Iron surfaces: pathways to interfaces', Surface Review and Letters, vol. 10, pp. 169174.

91 


Cited 8 times in Scopus8

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. 11631174.

446 


Cited 19 times in Scopus19

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. 233239.

139 


Cited 33 times in Scopus33

0

O'Malley, B and Snook, I 2003, 'Crystal nucleation in the hard sphere system', Physical Review Letters, vol. 90, pp. 8570285705.

167 


Cited 112 times in Scopus112


Barnard, A, Russo, S and Snook, I 2003, 'First principles investigations of diamond ultrananocrystals', International Journal of Modern Physics B, vol. 17, pp. 38653879.

136 


Cited 29 times in Scopus29

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. 23112321.

422 


Cited 7 times in Scopus7


Barnard, A, Russo, S and Snook, I 2003, 'Coexistence of bucky diamond with nanodiamond and fullerene carbon phases', Physical Review B, vol. 68, pp. 07340610734064.

200 


Cited 99 times in Scopus99

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. 23012309.

424 


Cited 8 times in Scopus8

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. 177183.

134 

14

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 'hardsphere' interaction?', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 66, no. 6, 060501, pp. 06050110605014.

68 
57 
90

Cited 81 times in Scopus81

0

McPhie, M, Daivis, P, Snook, I, Ennis, J and Evans, D 2001, 'Generalized Langevin equation for nonequilibrium systems', Physica A, vol. 299, no. 34, pp. 412426.

165 


Cited 14 times in Scopus14

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. 02150610215067.

151 



0

McDonough, A, Russo, S and Snook, I 2001, 'Longtime behaviour of the velocity autocorrelation function for moderately dense, softrepulsive, and LennardJones fluids', Physical Review E, vol. 63, no. 2, pp. 02610910261099.

114 



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, 36 February 2004.

119 



