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 Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation A Ghoufi, P Malfreyt
Physical Review E 83 (5), 051601, 2011
113 2011 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 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
110 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
84 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
83 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