





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. 515559.

344 




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.

143 




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.

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. 484493.

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

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. 18.

70 

1

Cited 1 times in Scopus1

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.

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. 112.

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 argonkrypton mixture', The Journal of Chemical Physics, vol. 139, no. 14, 144504, pp. 110.

149 
146 


1

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.

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. 2214222148.

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. 1537515382.

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. 19461957.

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. 1811918123.

51 

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.

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. 11671170.

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. 14.

94 

6

Cited 2 times in Scopus2

0

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.

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. 19.

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 twodimensional colloidal crystals confined between walls', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 86, no. 5, 051404, pp. 114.

37 

3

Cited 3 times in Scopus3

0

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

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. 111.

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. 110.

95 

2

Cited 2 times in Scopus2

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.

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. 158165.

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. 5962.

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 fluidsurface interactions in cylindrical nanopores', Molecular Simulation, vol. 37, no. 4, pp. 310320.

68 

1

Cited 1 times in Scopus1

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.

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. 1541815422.

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

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. 260263.

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

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. 43754380.

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. 542542.

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. 221225.

100 

39

Cited 33 times in Scopus33

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.

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. 5760.

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

164 

13

Cited 13 times in Scopus13

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.

65 

134

Cited 111 times in Scopus111

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.

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. 981986.

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. 416421.

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. 613.

279 

3

Cited 2 times in Scopus2

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.

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. 1045910464.

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. 327329.

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. 281286.

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. 115118.

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. 18.

61 

4

Cited 4 times in Scopus4

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.

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 nonequilibrium molecular dynamics', Journal of Physics: Condensed Matter, vol. 20, pp. 18.

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. 11430811143084.

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. 17.

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 ultrathin films: An ab initio study', Journal of Computational and Theoretical Nanoscience, vol. 5, no. 1, pp. 4447.

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. 154708115470814.

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. 777787.

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. 1484814852.

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. 11.

241 

4

Cited 3 times in Scopus3

0

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.

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. 14.

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. 224705224711.

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. 4707470713.

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. 17.

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. 224704224711.

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. 19542711954276.

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. 18.

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. 28922898.

98 

10

Cited 11 times in Scopus11

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.

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. 18.

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. 291298.

168 

2

Cited 3 times in Scopus3

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.

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. 1960519610.

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. 12551260.

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. 956962.

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. 031201103120113.

188 


Cited 19 times in Scopus19

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.

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. 11470311147034.

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. 03120410312047.

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. 10430211043025.

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. 17.

182 


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.

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. 18.

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. 125417125429.

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. 26052616.

243 

33

Cited 28 times in Scopus28

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.

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. 17.

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. 15.

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. 1020410212.

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. 6375.

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. 3237.

78 


Cited 1 times in Scopus1

0

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

91 


Cited 3 times in Scopus3

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.

329 

20

Cited 13 times in Scopus13

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.

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. 275283.

240 

14

Cited 14 times in Scopus14

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.

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. 13951407.

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. 226234.

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. 151156.

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. 1096510972.

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. 34253430.

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. 10751084.

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. 18.

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. 24532464.

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. 12291232.

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. 24572469.

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. 899907.

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. 38173821.

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. 8570285705.

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. 169174.

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. 3945.

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. 13231328.

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. 23, pp. 420430.

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. 1011, pp. 18671872.

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. 1072510728.

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. 50945097.

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. 24032411.

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. 23112321.

396 


Cited 7 times in Scopus7


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.

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. 103104, pp. 405421.

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. 204210.

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. 23540712354076.

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. 38653879.

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. 23012309.

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. 233239.

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. 07340610734064.

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. 11631174.

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. 177183.

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

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. 02150610215067.

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. 34, pp. 412426.

147 


Cited 14 times in Scopus14

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.

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, 36 February 2004.

100 



