Aziz Ghoufi

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Identifiants chercheurs

aghoufi
ResearcherId : I-4217-2014
IdRef : 112212395
0000-0003-0877-7968
ResearcherId : http://www.researcherid.com/rid/I-4217-2014

Présentation

Publications

773925

	Associated molecular liquids at the graphene monolayer interface Florent Goujon , Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Physics, 2021, 154 (10), ⟨10.1063/5.0042438⟩ Article dans une revue hal-03166486v1
	Interfacial tension of the graphene-water solid-liquid interface: how to handle the electrostatic interactions? Aziz Ghoufi , Patrice Malfreyt Molecular Physics, 2021, 119 (19-20), ⟨10.1080/00268976.2021.1948121⟩ Article dans une revue hal-03288474v1
	Contact angle and surface tension of water on a hexagonal boron nitride monolayer: a methodological investigation Ilham Essafri , Jean-Christophe Le Breton , Arnaud Saint-Jalmes , Armand Soldera , Anthony Szymczyk Molecular Simulation, 2019, 45 (4-5), pp.454-461. ⟨10.1080/08927022.2018.1502427⟩ Article dans une revue hal-01868083v1
	Calculation of the surface tension of water 40 years of molecular simulations Aziz Ghoufi , P. Malfreyt Molecular Simulation, 2019, 45 (4-5), pp.295-303. ⟨10.1080/08927022.2018.1513648⟩ Article dans une revue hal-02089226v1
	Calculation of the interfacial tension of the graphene-water interaction by molecular simulations Thibaud Dreher , Claire Lemarchand , Nicolas Pineau , Emeric Bourasseau , Aziz Ghoufi Journal of Chemical Physics, 2019, 150 (1), pp.014703. ⟨10.1063/1.5048576⟩ Article dans une revue hal-01996694v1
	Size-effects on the surface tension near the critical point Monte Carlo simulations of the Lennard-Jones fluid F. Goujon , Aziz Ghoufi , P. Malfreyt Chemical Physics Letters, 2018, 694, pp.60-64. ⟨10.1016/j.cplett.2018.01.046⟩ Article dans une revue hal-01739980v1
	Radial-based tail methods for Monte Carlo simulations of cylindrical interfaces F. Goujon , Bruno Bêche , P. Malfreyt , Aziz Ghoufi Journal of Chemical Physics, 2018, 148 (9), pp.094702. ⟨10.1063/1.5020529⟩ Article dans une revue hal-01739982v1
	How Does the Surface Tension Depend on the Surface Area with Coarse-Grained Models? Florent Goujon , Alain Dequidt , Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Theory and Computation, 2018, 14 (5), pp.2644 - 2651. ⟨10.1021/acs.jctc.8b00158⟩ Article dans une revue hal-01790498v1
	Coarse-grained modeling of the oil–water–surfactant interface through the local definition of the pressure tensor and interfacial tension M. Ndao , F. Goujon , Aziz Ghoufi , P. Malfreyt Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2017, 136 (1), pp.21. ⟨10.1007/s00214-016-2038-y⟩ Article dans une revue hal-01508398v1
	Test-area surface tension calculation of the graphene-methane interface: Fluctuations and commensurability H. D. d'Oliveira , X. Davoy , E. Arche , P. Malfreyt , Aziz Ghoufi Journal of Chemical Physics, 2017, 146 (21), pp.214112. ⟨10.1063/1.4984577⟩ Article dans une revue hal-01560002v1
	Importance of the tail corrections on surface tension of curved liquid-vapor interfaces Aziz Ghoufi , P. Malfreyt Journal of Chemical Physics, 2017, 146 (8), pp.084703. ⟨10.1063/1.4976964⟩ Article dans une revue hal-01508401v1
	Spotlights:Physics behind Water Transport through Nanoporous Boron Nitride and Graphene Garnier Ludovic , Anthony Szymczyk , Patrice Malfreyt , Aziz Ghoufi Journal of Physical Chemistry Letters, 2016, 7 (17), pp.3534. ⟨10.1021/acs.jpclett.6b01911⟩ Article dans une revue hal-01372970v1
	Ultrafast diffusion of Ionic Liquids Confined in Carbon Nanotubes Aziz Ghoufi , Anthony Szymczyk , Patrice Malfreyt Scientific Reports, 2016, 6 (1), pp.28518. ⟨10.1038/srep28518⟩ Article dans une revue hal-01337482v1
	CAN WE APPROACH THE GAS--LIQUID CRITICAL POINT USING SLAB SIMULATIONS OF TWO COEXISTING PHASES? Florent Goujon , Aziz Ghoufi , Patrice Malfreyt , Dominic J. Tildesley Journal of Chemical Physics, 2016, 145 (12), pp.124702. ⟨10.1063/1.4962820⟩ Article dans une revue hal-01371385v1
	Computer modelling of the surface tension of the gas-liquid and liquid-liquid interface Aziz Ghoufi , Patrice Malfreyt , Dominic J Tildesley Chemical Society Reviews, 2016, 15 (5), ⟨10.1039/c5cs00736d⟩ Article dans une revue hal-01259512v1
	Physics behind Water Transport through Nanoporous Boron Nitride and Graphene Garnier Ludovic , Anthony Szymczyk , Patrice Malfreyt , Aziz Ghoufi Journal of Physical Chemistry Letters, 2016, 7 (17), pp.3371-3376. ⟨10.1021/acs.jpclett.6b01365⟩ Article dans une revue hal-01354194v1
	Physical Properties and Hydrogen-Bonding Network of Water–Ethanol Mixtures from Molecular Dynamics Simulations Aziz Ghoufi , Franck Artzner , Patrice Malfreyt Journal of Physical Chemistry B, 2016, 120 (4), pp.793-802. ⟨10.1021/acs.jpcb.5b11776⟩ Article dans une revue hal-01260211v1
	Surface Tension and Long Range Corrections of Cylindrical Interfaces Emeric Bourasseau , Patrice Malfreyt , Aziz Ghoufi Journal of Chemical Physics, 2015, 143 (23), pp.234708. ⟨10.1063/1.4937924⟩ Article dans une revue hal-01238678v1
	Controlling the long-range corrections in atomistic Monte Carlo simulations of two-phase systems Florent Goujon , Aziz Ghoufi , Patrice Malfreyt , Dominic J. Tildesley Journal of Chemical Theory and Computation, 2015, 11 (10), pp.4573-4585. ⟨10.1021/acs.jctc.5b00377⟩ Article dans une revue hal-01193130v1
	Interfacial Structure of Toluene at an Ionic Liquid/Vapor Interface: A Molecular Dynamics Simulation Investigation Francois Delaunay , Alfredo-Santiago Rodriguez-Castillo , Annabelle Couvert , Abdeltif Amrane , Pierre-Francois Biard Journal of Physical Chemistry C, 2015, 119 (18), pp.9966-9972. ⟨10.1021/acs.jpcc.5b02081⟩ Article dans une revue hal-01144890v1
	Superpermittivity of nanoconfined water. Richard Renou , Anthony Szymczyk , Guillaume Maurin , Patrice Malfreyt , Aziz Ghoufi Journal of Chemical Physics, 2015, 142 (18), pp.184706. ⟨10.1063/1.4921043⟩ Article dans une revue hal-01212247v1
	Coarse-graining the liquid-liquid interfaces with the MARTINI force field : how is the interfacial tension reproduced ? Mathar Ndao , Devemy Julien , Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Theory and Computation, 2015, 11 (8), pp.3818-3828. ⟨10.1021/acs.jctc.5b00149⟩ Article dans une revue hal-01173978v1
	Surface tension of spherical drops from surface of tension Ahmed-Amine Homman , Emeric Bourasseau , Gabriel Stoltz , Patrice Malfreyt , Loic Strafella Journal of Chemical Physics, 2014, 140 (3), pp.034110. ⟨10.1063/1.4862149⟩ Article dans une revue hal-00932843v1
	Calculation of the surface tension of pure tin from atomistic simulations of liquid-vapour systems. E. Bourasseau , G. Filippini , Aziz Ghoufi , Patrice Malfreyt Molecular Physics, 2014, 112, pp.2654-2657. ⟨10.1080/00268976.2014.90166⟩ Article dans une revue hal-01084903v1
	How does the electronic continuum model perform in the prediction of the surface tension of salt solutions? Jean-Claude Neyt , Aurélie Wender , Véronique Lachet , Anthony Szymczyk , Aziz Ghoufi Chemical Physics Letters, 2014, 595-596, pp.209-213. ⟨10.1016/j.cplett.2014.02.014⟩ Article dans une revue hal-00965746v1
	Quantitative prediction of the interface tension of liquid-liquid interfaces through atomistic and coarse-grained models. Jean-Claude Neyt , Aurélie Wender , Véronique Lachet , Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Theory and Computation, 2014, 10, pp.1887-1899. ⟨10.1021/ct500053c⟩ Article dans une revue hal-01080216v1
	Slab thickness dependence of the surface tension: Toward a criterion of liquid sheets stability Gaelle Filippini , E. Bourasseau , Aziz Ghoufi , Florent Goujon , Patrice Malfreyt Journal of Chemical Physics, 2014, 141, pp.081103. ⟨10.1063/1.4894399⟩ Article dans une revue hal-01078715v1
	Concentration Dependence of the Dielectric Permittivity, Structure and Dynamics of Aqueous NaCl Solutions: Comparison between the Drude Oscillator and Electronic Continuum Models. Richard Renou , Minxia Ding , Haochen Zhu , Anthony Szymczyk , Patrice Malfreyt Journal of Physical Chemistry B, 2014, 118 (14), pp.3931-3940. ⟨10.1021/jp4118419⟩ Article dans une revue hal-00967974v1
	Crossover in structure and dynamics of a primary alcohol induced by hydrogen-bonds dilution Leila Hennous , Abdel Razzak Abdel Hamid , Ronan Lefort , Denis Morineau , Patrice Malfreyt Journal of Chemical Physics, 2014, 141, pp.204503. ⟨10.1063/1.4902012⟩ Article dans une revue hal-01121808v1
	The kinetic friction coefficient of neutral and charged polymer brushes Florent Goujon , Aziz Ghoufi , Patrice Malfreyt , Dominic J. Tildesley Soft Matter, 2013, 9, pp.2966-2972 Article dans une revue hal-00813372v1
	Nanoconfined Electrolyte Solutions in porous Hydrophilic Silica Membranes. Richard Renou , Aziz Ghoufi , Anthony Szymczyk , H. Zhu , Jean-Claude Neyt Journal of Physical Chemistry C, 2013, 117 (21), pp.11017-11027. ⟨10.1021/jp403450x⟩ Article dans une revue hal-00828106v1
	Calculation of the surface tension of liquid copper from atomistic Monte Carlo simulations Emeric Bourasseau , Ahmed-Amine Homman , Olivier Durand , Aziz Ghoufi , Patrice Malfreyt The European Physical Journal B: Condensed Matter and Complex Systems, 2013, 86, pp.251. ⟨10.1140/EPJB/E2013-40226-9⟩ Article dans une revue hal-00875765v1
	Local description of surface tension through thermodynamic and mechanical definitions. Aziz Ghoufi , Patrice Malfreyt Molecular Simulation, 2013, 39 (8), pp.603-611. ⟨10.1080/08927022.2012.755529⟩ Article dans une revue hal-00828294v1
	Molecular modeling of the liquid-vapor interfaces of a multi-component mixture: Prediction of the coexisting densities and surface tensions at different pressures and gas compositions Jean-Claude Neyt , Aurélie Wender , Véronique Lachet , Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Physics, 2013, 139 (2), pp.024701. ⟨10.1063/1.4811679⟩ Article dans une revue hal-00844526v1
	The kinetic friction coefficient of neutral and charged polymer brushes. Florent Goujon , Aziz Ghoufi , Patrice Malfreyt , Dominic J. Tildesley Soft Matter, 2013, 9 (10), pp.2966-2972. ⟨10.1039/C3SM27641D⟩ Article dans une revue hal-00806197v1
	Microscopic insight into the nanocoalescence of a water droplet on a water bath Aziz Ghoufi , Patrice Malfreyt EPL - Europhysics Letters, 2013, 104 (4), pp.46004. ⟨10.1209/0295-5075/104/46004⟩ Article dans une revue hal-00921482v1
	Prediction of the concentration dependence of the surface tension and density of salt solutions : atomistic simulations with polarizable and nonpolarizable models. Jean-Claude Neyt , Aurélie Wender , Véronique Lachet , Aziz Ghoufi , Patrice Malfreyt Physical Chemistry Chemical Physics, 2013, 2013 (15), pp.11679-11690. ⟨10.1039/C3CP50904D⟩ Article dans une revue hal-00828145v1
	Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces. Aziz Ghoufi , Janine Emile , Patrice Malfreyt European Physical Journal E: Soft matter and biological physics, 2013, 36, 10, 12 pp. ⟨10.1140/epje/i2013-13010-7⟩ Article dans une revue hal-01072051v1
	Calculation of the surface tension and pressure components from a non-exponential perturbation method of the thermodynamic route. Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Physics, 2012, 136, pp.024104. ⟨10.1063/1.3676056⟩ Article dans une revue hal-00688052v1
	Frictional forces in polyelectrolyte brushes: effects of sliding velocity, solvent quality and salt Florent Goujon , Aziz Ghoufi , Patrice Malfreyt , D. J. Tildesley Soft Matter, 2012, 8 (17), pp.4635-4644. ⟨10.1039/C2SM07450H⟩ Article dans une revue hal-00711757v1
	Coarse grained simulations of the electrolytes at the water-air interface from Many Body Dissipative Particle Dynamics Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Theory and Computation, 2012, 8, pp.787-791. ⟨10.1021/ct200833s⟩ Article dans une revue hal-00786130v1
	Configurational temperature and local properties of the anisotropic Gay-Berne liquid crystal model: applications to the isotropic liquid/vapor interface and isotropic/nematic transition. Aziz Ghoufi , Denis Morineau , Ronan Lefort , Patrice Malfreyt Journal of Chemical Physics, 2011, 134 (3), pp.034116. ⟨10.1063/1.3516519⟩ Article dans une revue hal-00711631v1
	Surface tension of water-alcohol mixtures from Monte Carlo simulations. Frédéric Biscay , Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Physics, 2011, 134 (4), pp.044709. ⟨10.1063/1.3544926⟩ Article dans une revue hal-00711644v1
	Molecular simulations of confined liquids: An alternative to the grand canonical Monte Carlo simulations Aziz Ghoufi , Denis Morineau , Ronan Lefort , Ivanne Hureau , Leita Hennous Journal of Chemical Physics, 2011, 134 (7), pp.074104. ⟨10.1063/1.3554641⟩ Article dans une revue hal-00607878v1
	Adsorption of n-alkane vapours at the water surface Frédéric Biscay , Aziz Ghoufi , Patrice Malfreyt Physical Chemistry Chemical Physics, 2011, 13, pp.11308-11316. ⟨10.1039/C0CP02511A⟩ Article dans une revue hal-00713133v1
	Mesoscale modeling of the water liquid-vapor interface : A surface tension calculation Aziz Ghoufi , Patrice Malfreyt Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2011, 83 (5), pp.051601. ⟨10.1103/PHYSREVE.83.051601⟩ Article dans une revue hal-00713078v1
	Local pressure components and surface tension of spherical interfaces. Thermodynamic versus mechanical definitions. I. A mesoscale modeling of droplets Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Physics, 2011, 135 (10), pp.4105. ⟨10.1063/1.3632991⟩ Article dans une revue hal-00714090v1
	Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt Journal of Physical Chemistry C, 2011, 115 (17), pp.8670-8683. ⟨10.1021/jp1117213⟩ Article dans une revue hal-00713070v1
	Calculation of the surface tension from multibody dissipative particle dynamics and Monte Carlo methods. Aziz Ghoufi , Patrice Malfreyt Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2010, 82, pp.016706. ⟨10.1103/PhysRevE.82.016706⟩ Article dans une revue hal-00914996v1
	Calculation of the surface tension of alcohol + water mixtures from Monte Carlo simulations Frédéric Biscay , Aziz Ghoufi , Patrice Malfreyt Journal of Physical Chemistry B, 2010, 134 (4), pp.044709. ⟨10.1063/1.3544926⟩ Article dans une revue hal-00481117v1
	Toward a Coarse Graining/All Atoms Force Field (CG/AA) from a Multiscale Optimization Method: An Application to the MCM-41 Mesoporous Silicates Aziz Ghoufi , Denis Morineau , Ronan Lefort , Patrice Malfreyt Journal of Chemical Theory and Computation, 2010, 6 (10), pp.3212-3222. ⟨10.1021/ct100169r⟩ Article dans une revue hal-00477686v1
	Numerical evidence of the formation of a thin microscopic film of methane at the water surface: a free energy calculation. Aziz Ghoufi , Patrice Malfreyt Physical Chemistry Chemical Physics, 2010, 12, pp.5203--5205. ⟨10.1039/b924886b⟩ Article dans une revue hal-01072094v1
	Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects ? Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Journal of Chemical Physics, 2009, 130, pp.184710 Article dans une revue hal-00359035v1
	Calculation of the surface tension of cyclic and aromatic hydrocarbons from Monte Carlo simulaitons using the Anisotropic United Atom model Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt Physical Chemistry Chemical Physics, 2009, 111, pp.6132-6147 Article dans une revue hal-00359033v1
	Monte Carlo simulations of the pressure dependence of the water-acid gas interfacial tensions. Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt Journal of Physical Chemistry B, 2009, 113, pp.14277-14290 Article dans une revue hal-00477644v1
	Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects? Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Journal of Chemical Physics, 2009, 130 (18), pp.184710. ⟨10.1063/1.3132708⟩ Article dans une revue hal-00665326v1
	Monte Carlo calculation of the methane-water interfacial tension at high pressures Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt Journal of Chemical Physics, 2009, 131 (12), pp.124707. ⟨10.1063/1.3236390⟩ Article dans une revue hal-00665475v1
	Monte Carlo calculations of the methane-water interfacial tension at high pressures Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt Journal of Chemical Physics, 2009, 131, pp.124707 Article dans une revue hal-00477635v1
	Surface tensions of linear and branched alkanes from Monte Carlo simulations using the Anisotropic United Atom (AUA) model Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Journal of Physical Chemistry B, 2008, 112, pp.13885-13897 Article dans une revue hal-00342620v1
	Multiple Histogram Reweighting method for the surface tension calculation. Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Journal of Chemical Physics, 2008, 128, pp.154718 Article dans une revue hal-00295150v1
	Surface tension of water and acid gazes from Monte Carlo simulations Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Journal of Chemical Physics, 2008, 128, pp.154716 Article dans une revue hal-00295151v1
	Expressions for local contributions to the surface tension from the virial route Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2008, 77, pp.031601 Article dans une revue hal-00295146v1
	Molecular simulations of the n-alkane liquid-vapor interface : interfacial properties and their long range corrections C. Ibergay , Aziz Ghoufi , F. Goujon , P. Ungerer , A. Boutin Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 75, pp.051602 Article dans une revue hal-00145222v1
	Computational and Experimental Investigations of Supramolecular assemblies of p-Sulfonatocalix[4]arene Organized by Weak Forces Aziz Ghoufi , Laure Pison , Jean-Pierre Morel , Nicole Morel-Desrosiers , Christine Bonal Journal of Physical Chemistry B, 2007, 111 (11478-11485), 7 p Article dans une revue hal-00293450v1
	Methodology for the calculation of the potential of mean force for a cation-pi complex in water Aziz Ghoufi , P. Archirel , Jean-Pierre Morel , Nicole Morel-Desrosiers , A. Boutin ChemPhysChem, 2007, 8 (11), pp.1648-1656 Article dans une revue hal-00187793v1
	Calculation of the absolute thermodynamic properties of association of host-guest systems from the intermolecular potential of mean force Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Physics, 2006, 125, pp.224503-1 Article dans une revue hal-00342614v1
	Entropy and enthalpy calculations from the Perturbation and Integration Thermodynamics methods using molecular dynamics simulations: Applications to the calculation of hydration and association thermodynamic properties Aziz Ghoufi , Patrice Malfreyt Molecular Physics, 2006, 104, pp.2929-2943 Article dans une revue hal-00342612v1
	Calculation of the potential of mean force from molecular dynamics simulations using different methodologies: An application to the determination of the binding thermodynamic properties of an ion-pair Aziz Ghoufi , Patrice Malfreyt Molecular Physics, 2006, 104, pp.3787-3799 Article dans une revue hal-00137022v1
	MD simulations of the binding of alcohols and diols by a calixarene in water: connections between microscopic and macroscopic properties. Aziz Ghoufi , Jean-Pierre Morel , Nicole Morel-Desrosiers , Patrice Malfreyt Journal of Physical Chemistry B, 2005, 109 (49), pp.23579-23587 Article dans une revue hal-00159711v1
	Structures and energetics of complexes of the p-sulfonatocalix[4]arene with ammonium, alkylammonium and tetraalkylammonium cations in water using molecular dynamics simulations. Aziz Ghoufi , Christine Bonal , Jean-Pierre Morel , Nicole Morel-Desrosiers , Patrice Malfreyt Journal of Physical Chemistry B, 2004, 108 (16), pp.5095-5104 Article dans une revue hal-00159716v1
	Gibbs free energy perturbation calculations: an application to the binding of alkylammonium cations by a water-soluble calixarene. Aziz Ghoufi , Christine Bonal , Jean-Pierre Morel , Nicole Morel-Desrosiers , Patrice Malfreyt Journal of Physical Chemistry B, 2004, 108 (31), pp.11744-11752 Article dans une revue hal-00159714v1

	Calculation of the surface tension of water-gas mixtures from Monte Carlo Simulations Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt PPEPPD, Properties and Phase Equilibria for Product and Process Design,, May 2010, Suzhou, China Communication dans un congrès hal-00482011v1
	Calculation of the surface tension of binary mixtures at high pressures from Monte Carlo simulations Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt Thermodynamics 2009, 2009, Londres, France Communication dans un congrès hal-00477760v1
	Calculation of the surface tension of water-acid gases binary mixtures from Monte Carlo simulations Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt First Congress of the Federation of Environmental research,, Oct 2008, France Communication dans un congrès hal-00342640v1
	Calculation of the surface tension of water-CO2 and water-H2S binary mixtures from Monte Carlo simulations Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt 23 rd European Symposium on Applied Thermodynamics, May 2008, Cannes, France Communication dans un congrès hal-00342645v1
	Multiple Histogram Reweighting for the surface tension calculation Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Thermodynamics 2007, Sep 2007, Rueil-Malmaison, France Communication dans un congrès hal-00342644v1
	Surface tension calculation of alkanes and alkylbenzenes using the anisotropic united atom model Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Thermodynamics 2007, Sep 2007, Rueil-Malmaison, France Communication dans un congrès hal-00342643v1
	Calcul de tensions interfaciales d'hydrocarbures à l'aide de simulations de type Monte-Carlo Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Patrice Malfreyt 9èmes Journées Francophones des Jeunes Physico-Chimistes, May 2007, Maubuisson, France Communication dans un congrès hal-00342638v1
	Calculation of the surface tension and its long range corrections Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt Thermodynamics, Sep 2007, Rueil-Malmaison, France Communication dans un congrès hal-00342637v1
	Calculation of the surface tension of n-alkanes using molecular simulations: operational expressions and long range corrections. Cyrille Ibergay , Aziz Ghoufi , Florent Goujon , Patrice Malfreyt , Philippe Ungerer Molecular simulation of equilibrium properties, A seminar celebrating the 10 th anniversary of the GIBBS Software, Mar 2006, Rueil-Malmaison, France Communication dans un congrès hal-00342636v1
	Methodology for the calculation of the absolute and relative thermodynamic properties (hydration, binding) Aziz Ghoufi , Patrice Malfreyt Seventh Liblice Conference on the Statistical Mechanics of Liquids, May 2006, Lednice, Czech Republic Communication dans un congrès hal-00342642v1
	Calculating ΔΔrG°, ΔΔrH° and ΔΔrS° from molecular simulations: Applications to the binding of inorganic cations by a macrocycle Aziz Ghoufi , Patrice Malfreyt Thermodynamics, Apr 2005, Coimbra, Portugal Communication dans un congrès hal-00342632v1
	Nouvelles approches dans les méthodes de perturbation et de potentiel de force moyenne pour le calcul de grandeurs thermodynamiques d'association. Aziz Ghoufi , Patrice Malfreyt 8ème Journées Francophones des Jeunes Physico-Chimistes, Sep 2005, Marly le Roi, France Communication dans un congrès hal-00342634v1
	Calcul des grandeurs d'association par la méthode du potentiel de forces moyennes: application à la complexation d'un calixarène par les ions lanthane et tétraalkylammonium Aziz Ghoufi , Jean-Pierre Morel , Nicole Morel-Desrosiers , Patrice Malfreyt Journées du GDR PRACTIS "Physicochimie des actinides et autres radioéléments en solutions et aux interfaces", 2005, Avignon, France Communication dans un congrès hal-00011231v1

Aziz Ghoufi

Présentation

Publications

Associated molecular liquids at the graphene monolayer interface

Interfacial tension of the graphene-water solid-liquid interface: how to handle the electrostatic interactions?

Contact angle and surface tension of water on a hexagonal boron nitride monolayer: a methodological investigation

Calculation of the surface tension of water 40 years of molecular simulations

Calculation of the interfacial tension of the graphene-water interaction by molecular simulations

Size-effects on the surface tension near the critical point Monte Carlo simulations of the Lennard-Jones fluid

Radial-based tail methods for Monte Carlo simulations of cylindrical interfaces

How Does the Surface Tension Depend on the Surface Area with Coarse-Grained Models?

Coarse-grained modeling of the oil–water–surfactant interface through the local definition of the pressure tensor and interfacial tension

Test-area surface tension calculation of the graphene-methane interface: Fluctuations and commensurability

Importance of the tail corrections on surface tension of curved liquid-vapor interfaces

Spotlights:Physics behind Water Transport through Nanoporous Boron Nitride and Graphene

Ultrafast diffusion of Ionic Liquids Confined in Carbon Nanotubes

CAN WE APPROACH THE GAS--LIQUID CRITICAL POINT USING SLAB SIMULATIONS OF TWO COEXISTING PHASES?

Computer modelling of the surface tension of the gas-liquid and liquid-liquid interface

Physics behind Water Transport through Nanoporous Boron Nitride and Graphene

Physical Properties and Hydrogen-Bonding Network of Water–Ethanol Mixtures from Molecular Dynamics Simulations

Surface Tension and Long Range Corrections of Cylindrical Interfaces

Controlling the long-range corrections in atomistic Monte Carlo simulations of two-phase systems

Interfacial Structure of Toluene at an Ionic Liquid/Vapor Interface: A Molecular Dynamics Simulation Investigation

Superpermittivity of nanoconfined water.

Coarse-graining the liquid-liquid interfaces with the MARTINI force field : how is the interfacial tension reproduced ?

Surface tension of spherical drops from surface of tension

Calculation of the surface tension of pure tin from atomistic simulations of liquid-vapour systems.

How does the electronic continuum model perform in the prediction of the surface tension of salt solutions?

Quantitative prediction of the interface tension of liquid-liquid interfaces through atomistic and coarse-grained models.

Slab thickness dependence of the surface tension: Toward a criterion of liquid sheets stability

Concentration Dependence of the Dielectric Permittivity, Structure and Dynamics of Aqueous NaCl Solutions: Comparison between the Drude Oscillator and Electronic Continuum Models.

Crossover in structure and dynamics of a primary alcohol induced by hydrogen-bonds dilution

The kinetic friction coefficient of neutral and charged polymer brushes

Nanoconfined Electrolyte Solutions in porous Hydrophilic Silica Membranes.

Calculation of the surface tension of liquid copper from atomistic Monte Carlo simulations

Local description of surface tension through thermodynamic and mechanical definitions.

Molecular modeling of the liquid-vapor interfaces of a multi-component mixture: Prediction of the coexisting densities and surface tensions at different pressures and gas compositions

The kinetic friction coefficient of neutral and charged polymer brushes.

Microscopic insight into the nanocoalescence of a water droplet on a water bath

Prediction of the concentration dependence of the surface tension and density of salt solutions : atomistic simulations with polarizable and nonpolarizable models.

Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces.

Calculation of the surface tension and pressure components from a non-exponential perturbation method of the thermodynamic route.

Frictional forces in polyelectrolyte brushes: effects of sliding velocity, solvent quality and salt

Coarse grained simulations of the electrolytes at the water-air interface from Many Body Dissipative Particle Dynamics

Configurational temperature and local properties of the anisotropic Gay-Berne liquid crystal model: applications to the isotropic liquid/vapor interface and isotropic/nematic transition.

Surface tension of water-alcohol mixtures from Monte Carlo simulations.

Molecular simulations of confined liquids: An alternative to the grand canonical Monte Carlo simulations

Adsorption of n-alkane vapours at the water surface

Mesoscale modeling of the water liquid-vapor interface : A surface tension calculation

Local pressure components and surface tension of spherical interfaces. Thermodynamic versus mechanical definitions. I. A mesoscale modeling of droplets

Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations

Calculation of the surface tension from multibody dissipative particle dynamics and Monte Carlo methods.

Calculation of the surface tension of alcohol + water mixtures from Monte Carlo simulations

Toward a Coarse Graining/All Atoms Force Field (CG/AA) from a Multiscale Optimization Method: An Application to the MCM-41 Mesoporous Silicates

Numerical evidence of the formation of a thin microscopic film of methane at the water surface: a free energy calculation.

Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects ?

Calculation of the surface tension of cyclic and aromatic hydrocarbons from Monte Carlo simulaitons using the Anisotropic United Atom model

Monte Carlo simulations of the pressure dependence of the water-acid gas interfacial tensions.

Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects?

Monte Carlo calculation of the methane-water interfacial tension at high pressures

Monte Carlo calculations of the methane-water interfacial tension at high pressures

Surface tensions of linear and branched alkanes from Monte Carlo simulations using the Anisotropic United Atom (AUA) model

Multiple Histogram Reweighting method for the surface tension calculation.

Surface tension of water and acid gazes from Monte Carlo simulations

Expressions for local contributions to the surface tension from the virial route

Molecular simulations of the n-alkane liquid-vapor interface : interfacial properties and their long range corrections

Computational and Experimental Investigations of Supramolecular assemblies of p-Sulfonatocalix[4]arene Organized by Weak Forces

Methodology for the calculation of the potential of mean force for a cation-pi complex in water

Calculation of the absolute thermodynamic properties of association of host-guest systems from the intermolecular potential of mean force

Entropy and enthalpy calculations from the Perturbation and Integration Thermodynamics methods using molecular dynamics simulations: Applications to the calculation of hydration and association thermodynamic properties

Calculation of the potential of mean force from molecular dynamics simulations using different methodologies: An application to the determination of the binding thermodynamic properties of an ion-pair

MD simulations of the binding of alcohols and diols by a calixarene in water: connections between microscopic and macroscopic properties.

Structures and energetics of complexes of the p-sulfonatocalix[4]arene with ammonium, alkylammonium and tetraalkylammonium cations in water using molecular dynamics simulations.

Gibbs free energy perturbation calculations: an application to the binding of alkylammonium cations by a water-soluble calixarene.

Calculation of the surface tension of water-gas mixtures from Monte Carlo Simulations

Calculation of the surface tension of binary mixtures at high pressures from Monte Carlo simulations

Calculation of the surface tension of water-acid gases binary mixtures from Monte Carlo simulations

Calculation of the surface tension of water-CO2 and water-H2S binary mixtures from Monte Carlo simulations

Multiple Histogram Reweighting for the surface tension calculation

Surface tension calculation of alkanes and alkylbenzenes using the anisotropic united atom model