DL_POLY_2. 0: A general-purpose parallel molecular dynamics simulation package W Smith, TR Forester Journal of molecular graphics 14 (3), 136-141, 1996 | 2538 | 1996 |
DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism IT Todorov, W Smith, K Trachenko, MT Dove Journal of Materials Chemistry 16 (20), 1911-1918, 2006 | 1267 | 2006 |
Chemical reaction equilibrium analysis WR Smith Theory and Algorithms, 1982 | 1243 | 1982 |
DL_POLY: Application to molecular simulation W Smith, CW Yong, PM Rodger Molecular Simulation 28 (5), 385-471, 2002 | 685 | 2002 |
Gender differences in risk perception and neutralizing fear of crime: Toward resolving the paradoxes WR Smith, M Torstensson The British Journal of Criminology 37 (4), 608-634, 1997 | 406 | 1997 |
The DL poly 2 user manual W Smith, TR Forester, IT Todorov, M Leslie CCLRC, Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England 2, 2006 | 358 | 2006 |
Analytical representation of the Percus-Yevick hard-sphere radial distribution function WR Smith, D Henderson Molecular Physics 19 (3), 411-415, 1970 | 316 | 1970 |
The reaction ensemble method for the computer simulation of chemical and phase equilibria. I. Theory and basic examples WR Smith, B Triska The Journal of chemical physics 100 (4), 3019-3027, 1994 | 261 | 1994 |
Simulations of the methane hydrate/methane gas interface near hydrate forming conditions conditions PM Rodger, TR Forester, W Smith Fluid phase equilibria 116 (1-2), 326-332, 1996 | 245 | 1996 |
A short description of DL_POLY W Smith, IT Todorov Molecular Simulation 32 (12-13), 935-943, 2006 | 241 | 2006 |
Molecular dynamics on hypercube parallel computers W Smith Computer Physics Communications 62 (2-3), 229-248, 1991 | 203 | 1991 |
Guest Editorial: DL_POLY–applications to molecular simulation II W Smith Taylor & Francis Group 32 (12-13), 933-933, 2006 | 180 | 2006 |
Canada’s program on nuclear hydrogen production and the thermochemical Cu–Cl cycle GF Naterer, S Suppiah, L Stolberg, M Lewis, Z Wang, V Daggupati, ... international journal of hydrogen energy 35 (20), 10905-10926, 2010 | 178 | 2010 |
DL_MESO: highly scalable mesoscale simulations MA Seaton, RL Anderson, S Metz, W Smith Molecular Simulation 39 (10), 796-821, 2013 | 176 | 2013 |
Robotic cholecystectomy: learning curve, advantages, and limitations TJ Vidovszky, W Smith, J Ghosh, MR Ali Journal of Surgical Research 136 (2), 172-178, 2006 | 164 | 2006 |
Molecular dynamics calculation of elastic constants in Gay–Berne nematic liquid crystals MP Allen, MA Warren, MR Wilson, A Sauron, W Smith The Journal of chemical physics 105 (7), 2850-2858, 1996 | 162 | 1996 |
SHAKE, rattle, and roll: efficient constraint algorithms for linked rigid bodies TR Forester, W Smith Journal of computational chemistry 19 (1), 102-111, 1998 | 159 | 1998 |
Extremal arrangements of points and unit charges on a sphere: equilibrium configurations revisited TW Melnyk, O Knop, WR Smith Canadian Journal of Chemistry 55 (10), 1745-1761, 1977 | 156 | 1977 |
DL_POLY_3: the CCP5 national UK code for molecular–dynamics simulations IT Todorov, W Smith Philosophical Transactions of the Royal Society of London. Series A …, 2004 | 155 | 2004 |
Application of the hypernetted chain approximation to the electric double layer at a charged planar interface D Henderson, L Blum, WR Smith Chemical Physics Letters 63 (2), 381-383, 1979 | 143 | 1979 |