| Dissipative particle dynamics with energy conservation JB Avalos, AD Mackie Europhysics Letters 40 (2), 141, 1997 | 255 | 1997 |
| Aggregation behavior of a lattice model for amphiphiles AD Mackie, AZ Panagiotopoulos, I Szleifer Langmuir 13 (19), 5022-5031, 1997 | 181 | 1997 |
| Critical point estimation of the Lennard-Jones pure fluid and binary mixtures J Pérez-Pellitero, P Ungerer, G Orkoulas, AD Mackie The Journal of chemical physics 125 (5), 2006 | 111 | 2006 |
| Vapour-liquid phase equilibria predictions of methane–alkane mixtures by Monte Carlo simulation AD Mackie, B Tavitian, A Boutin, AH Fuchs Molecular Simulation 19 (1), 1-15, 1997 | 106 | 1997 |
| Thermodynamic and transport properties of carbon dioxide from molecular simulation C Nieto-Draghi, T de Bruin, J Pérez-Pellitero, J Bonet Avalos, AD Mackie The Journal of chemical physics 126 (6), 2007 | 100 | 2007 |
| Dissipative particle dynamics with energy conservation: Modelling of heat flow AD Mackie, JB Avalos, V Navas Physical Chemistry Chemical Physics 1 (9), 2039-2049, 1999 | 84 | 1999 |
| Monte Carlo simulations of phase equilibria for a lattice homopolymer model AD Mackie, AZ Panagiotopoulos, SK Kumar The Journal of chemical physics 102 (2), 1014-1023, 1995 | 84 | 1995 |
| Dynamic and transport properties of dissipative particle dynamics with energy conservation JB Avalos, AD Mackie The Journal of chemical physics 111 (11), 5267-5276, 1999 | 76 | 1999 |
| Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols: Application to the problems of the 2004 Fluid Simulation Challenge Y Boutard, P Ungerer, JM Teuler, MG Ahunbay, SF Sabater, ... Fluid phase equilibria 236 (1-2), 25-41, 2005 | 70 | 2005 |
| Phase equilibria of a lattice model for an oil–water–amphiphile mixture AD Mackie, K Onur, AZ Panagiotopoulos The Journal of chemical physics 104 (10), 3718-3725, 1996 | 63 | 1996 |
| Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. 1. Benzene RO Contreras-Camacho, P Ungerer, A Boutin, AD Mackie The Journal of Physical Chemistry B 108 (37), 14109-14114, 2004 | 62 | 2004 |
| Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. III. Polyaromatic and naphthenoaromatic hydrocarbons MG Ahunbay, J Perez-Pellitero, RO Contreras-Camacho, JM Teuler, ... The Journal of Physical Chemistry B 109 (7), 2970-2976, 2005 | 60 | 2005 |
| Accurate critical micelle concentrations from a microscopic surfactant model A Gezae Daful, VA Baulin, J Bonet Avalos, AD Mackie The Journal of Physical Chemistry B 115 (13), 3434-3443, 2011 | 58 | 2011 |
| A transferable force field to predict phase equilibria and surface tension of ethers and glycol ethers N Ferrando, V Lachet, J Pérez-Pellitero, AD Mackie, P Malfreyt, A Boutin The Journal of Physical Chemistry B 115 (36), 10654-10664, 2011 | 52 | 2011 |
| Model shape transitions of micelles: spheres to cylinders and disks AG Daful, JB Avalos, AD Mackie Langmuir 28 (8), 3730-3743, 2012 | 46 | 2012 |
| Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. 2. Alkylbenzenes and styrene RO Contreras-Camacho, P Ungerer, MG Ahunbay, V Lachet, ... The Journal of Physical Chemistry B 108 (37), 14115-14123, 2004 | 45 | 2004 |
| Molecular dynamics simulation of acid gas mixtures: A comparison between several approximations G Galliero, C Nieto-Draghi, C Boned, JB Avalos, AD Mackie, A Baylaucq, ... Industrial & engineering chemistry research 46 (15), 5238-5244, 2007 | 44 | 2007 |
| Sphere-to-rod transitions of micelles in model nonionic surfactant solutions ZA Al-Anber, J Bonet i Avalos, MA Floriano, AD Mackie The Journal of chemical physics 118 (8), 3816-3826, 2003 | 44 | 2003 |
| Monte Carlo simulation of self-assembled ordered hybrid materials A Patti, AD Mackie, FR Siperstein Langmuir 23 (12), 6771-6780, 2007 | 43 | 2007 |
| Vapour-liquid coexistence curves of the united-atom and anisotropic united-atom force fields for alkane mixtures J Delhommelle, A Boutin, B Tavitian, AD Mackie, AH Fuchs Molecular Physics 96 (10), 1517-1524, 1999 | 42 | 1999 |
