| On fitting a gold embedded atom method potential using the force matching method G Grochola, SP Russo, IK Snook The Journal of chemical physics 123 (20), 2005 | 306 | 2005 |
| Constrained fluid λ-integration: Constructing a reversible thermodynamic path between the solid and liquid state G Grochola The Journal of chemical physics 120 (5), 2122-2126, 2004 | 159 | 2004 |
| Computational modeling of nanorod growth G Grochola, IK Snook, SP Russo The Journal of chemical physics 127 (19), 2007 | 67 | 2007 |
| Molecular dynamics investigation of the structural and thermodynamic properties of gold nanoclusters of different morphologies YH Chui, G Grochola, IK Snook, SP Russo Physical Review B—Condensed Matter and Materials Physics 75 (3), 033404, 2007 | 60 | 2007 |
| On morphologies of gold nanoparticles grown from molecular dynamics simulation G Grochola, SP Russo, IK Snook The Journal of chemical physics 126 (16), 2007 | 39 | 2007 |
| The influence of shape and structure on the Curie temperature of Fe and Co nanoparticles R Evans, U Nowak, F Dorfbauer, T Shrefl, O Mryasov, RW Chantrell, ... Journal of applied physics 99 (8), 2006 | 38 | 2006 |
| “Exact” surface free energies of iron surfaces using a modified embedded atom method potential and λ integration G Grochola, SP Russo, I Yarovsky, IK Snook The Journal of chemical physics 120 (7), 3425-3430, 2004 | 32 | 2004 |
| Stability and transformations of heated gold nanorods G Opletal, G Grochola, YH Chui, IK Snook, SP Russo The Journal of Physical Chemistry C 115 (11), 4375-4380, 2011 | 31 | 2011 |
| On the relative stabilities of gold nanoparticles G Grochola, IK Snook, SP Russo The Journal of chemical physics 127 (22), 2007 | 27 | 2007 |
| On simulation methods to compute surface and interfacial free energies of disordered solids G Grochola, SP Russo, IK Snook, I Yarovsky The Journal of chemical physics 116 (19), 8547-8555, 2002 | 25 | 2002 |
| Further application of the constrained fluid λ-integration method G Grochola The Journal of chemical physics 122 (4), 2005 | 24 | 2005 |
| New lambda integration method to compute surface free energies of disordered surfaces G Grochola, SP Russo, IK Snook, I Yarovsky The Journal of chemical physics 117 (16), 7676-7684, 2002 | 23 | 2002 |
| Universal simulation method to compute surface and interfacial free energies of disordered solids G Grochola, SP Russo, IK Snook, I Yarovsky The Journal of chemical physics 117 (16), 7685-7690, 2002 | 22 | 2002 |
| On the formation mechanism of the “pancake” decahedron gold nanoparticle G Grochola, SP Russo, IK Snook The Journal of chemical physics 127 (22), 2007 | 16 | 2007 |
| Application of the constrained fluid λ-integration path to the calculation of high temperature Au (110) surface free energies G Grochola, IK Snook, SP Russo The Journal of chemical physics 122 (6), 2005 | 12 | 2005 |
| On the computational calculation of surface free energies for the disordered semihexagonal reconstructed Au (100) surface G Grochola, IK Snook, SP Russo The Journal of chemical physics 122 (17), 2005 | 11 | 2005 |
| Elucidation of surface driven crystallization of icosahedral clusters G Opletal, CA Feigl, G Grochola, IK Snook, SP Russo Chemical Physics Letters 482 (4-6), 281-286, 2009 | 9 | 2009 |
| Influence of substrate morphology on the growth of gold nanoparticles G Grochola, IK Snook, SP Russo The Journal of chemical physics 129 (15), 2008 | 8 | 2008 |
| A kinetic Monte Carlo study of Pt on Au (111) with applications to bimetallic catalysis P Zoontjens, G Grochola, IK Snook, SP Russo Journal of Physics: Condensed Matter 23 (1), 015302, 2010 | 7 | 2010 |
| A theoretical study of size and temperature dependent morphology transformations in gold nanoparticles C Feigl, G Grochola, G Opletal, IK Snook, SP Russo Chemical Physics Letters 474 (1-3), 115-118, 2009 | 7 | 2009 |
