| Computer modelling of the surface tension of the gas–liquid and liquid–liquid interface A Ghoufi, P Malfreyt, DJ Tildesley Chemical Society Reviews 45 (5), 1387-1409, 2016 | 193 | 2016 |
| Molecular simulations of the -alkane liquid-vapor interface: Interfacial properties and their long range corrections C Ibergay, A Ghoufi, F Goujon, P Ungerer, A Boutin, B Rousseau, ... Physical Review E 75 (5), 051602, 2007 | 125 | 2007 |
| Dissipative particle dynamics simulations of grafted polymer chains between two walls P Malfreyt, DJ Tildesley Langmuir 16 (10), 4732-4740, 2000 | 115 | 2000 |
| Surface tension of water and acid gases from Monte Carlo simulations A Ghoufi, F Goujon, V Lachet, P Malfreyt The Journal of chemical physics 128 (15), 2008 | 113 | 2008 |
| Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation A Ghoufi, P Malfreyt Physical Review E 83 (5), 051601, 2011 | 112 | 2011 |
| Calculation of the surface tension from Monte Carlo simulations: Does the model impact on the finite-size effects? F Biscay, A Ghoufi, F Goujon, V Lachet, P Malfreyt The Journal of chemical physics 130 (18), 2009 | 109 | 2009 |
| Physical properties and hydrogen-bonding network of water–ethanol mixtures from molecular dynamics simulations A Ghoufi, F Artzner, P Malfreyt The Journal of Physical Chemistry B 120 (4), 793-802, 2016 | 104 | 2016 |
| Mesoscopic simulation of entanglements using dissipative particle dynamics: Application to polymer brushes F Goujon, P Malfreyt, DJ Tildesley The Journal of chemical physics 129 (3), 2008 | 102 | 2008 |
| Surface tension of water–alcohol mixtures from Monte Carlo simulations F Biscay, A Ghoufi, P Malfreyt The Journal of Chemical Physics 134 (4), 2011 | 100 | 2011 |
| Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids AS Pensado, MFC Gomes, JNC Lopes, P Malfreyt, AAH Pádua Physical Chemistry Chemical Physics 13 (30), 13518-13526, 2011 | 96 | 2011 |
| Electrostatic interactions in dissipative particle dynamics: toward a mesoscale modeling of the polyelectrolyte brushes C Ibergay, P Malfreyt, DJ Tildesley Journal of Chemical Theory and Computation 5 (12), 3245-3259, 2009 | 89 | 2009 |
| Direct Monte Carlo simulations of the equilibrium properties of n-pentane liquid–vapor interface F Goujon, P Malfreyt, A Boutin, AH Fuchs The Journal of chemical physics 116 (18), 8106-8117, 2002 | 88 | 2002 |
| Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the n-pentane liquid-vapor interface F Goujon, P Malfreyt, JM Simon, A Boutin, B Rousseau, AH Fuchs The Journal of chemical physics 121 (24), 12559-12571, 2004 | 87 | 2004 |
| Dissipative particle dynamics simulation of grafted polymer brushes under shear D Irfachsyad, D Tildesley, P Malfreyt Physical Chemistry Chemical Physics 4 (13), 3008-3015, 2002 | 86 | 2002 |
| Nonequilibrium molecular simulations of new ionic lubricants at metallic surfaces: prediction of the friction ACF Mendonca, AAH Padua, P Malfreyt Journal of chemical theory and computation 9 (3), 1600-1610, 2013 | 85 | 2013 |
| Recent advances in many body dissipative particles dynamics simulations of liquid-vapor interfaces A Ghoufi, J Emile, P Malfreyt The European Physical Journal E 36, 1-12, 2013 | 85 | 2013 |
| Molecular dynamics simulations of the liquid surface of the ionic liquid 1-hexyl-3-methylimidazolium bis (trifluoromethanesulfonyl) amide: Structure and surface tension A Sanmartín Pensado, P Malfreyt, AAH Padua The Journal of Physical Chemistry B 113 (44), 14708-14718, 2009 | 83 | 2009 |
| Interactions and ordering of ionic liquids at a metal surface ACF Mendonça, P Malfreyt, AAH Pádua Journal of chemical theory and computation 8 (9), 3348-3355, 2012 | 82 | 2012 |
| Physics behind water transport through nanoporous boron nitride and graphene L Garnier, A Szymczyk, P Malfreyt, A Ghoufi The journal of physical chemistry letters 7 (17), 3371-3376, 2016 | 79 | 2016 |
| Monte Carlo calculation of the methane-water interfacial tension at high pressures F Biscay, A Ghoufi, V Lachet, P Malfreyt The Journal of chemical physics 131 (12), 2009 | 78 | 2009 |
