Aziz Ghoufi Professor, Institut de Chimie et des Matériaux Paris-Est (ICMPE) https://sites.google.com/view/aziz-ghoufi

Identifiants chercheurs

IdHAL :

aghoufi

ORCID :

0000-0003-0877-7968

IdRef :

112212395

ResearcherID :

http://www.researcherid.com/rid/I-4217-2014

Présentation

I currently work in &quot;Modeling calculating&quot; department at Institut the Institut de Chimie et des Matériaux Paris- Est (ICMPE), France. My research interests include the development and applications of advanced molecular and mesoscale simulations techniques to model heterogeneous systems and to understand the confinement effects of fluids in the nanoporous materials, adsorption of gases in porous materials, nanofiltration in membranes and adsorption at the liquid-vapour interface.

Publications

Article dans une revue (176)

Enhancing the CO2 Separation Performance of MOFs-Based Membranes: From Strategic Modifications to Computational Insights Xiaohui Liu,Zixuan Yu,Haochen Zhu,Wenquan Tao,Zhuo Liet al. Small Methods, 2026, pp.e02117. ⟨10.1002/smtd.202502117⟩ Article dans une revue hal-05493232v1
Surface tension enhancement in nanoconfined water: The role of confinement and excluded volume effects Grace-Espoir Makaya,Aziz Ghoufi Physical Review E , 2026, 113 (1), pp.015501. ⟨10.1103/fmnj-d2gy⟩ Article dans une revue hal-05441784v1
Molecular-driven extreme surface tension of water in carbon nanotubes Haochen Zhu,Chunchun Meng,Aziz Ghoufi Physics of Fluids, In press Article dans une revue hal-05569124v1
From Molecular Simulations to Experimental Validation of Gas Permeance in Zeolite Membranes Margarita Kuznetsova,Christophe Castel,Laëtitia Cesari,Aziz Ghoufi,Michaël Badawiet al. Journal of Physical Chemistry C, 2026, 130 (1), pp.508-525. ⟨10.1021/acs.jpcc.5c04687⟩ Article dans une revue hal-05436707v1
Temperature-Driven Behavior of Surface Tension in Liquids Under Closed Nano-Confinement Aziz Ghoufi Journal of Physical Chemistry B, 2025, ⟨10.1021/acs.jpcb.5c00028⟩ Article dans une revue hal-04983947v1
Temperature Dependence of the Isochoric Surface Tension of a Narrowly Confined Ionic-Liquid Aziz Ghoufi Journal of Molecular Liquids, 2025, pp.126856. ⟨10.1016/j.molliq.2025.126856⟩ Article dans une revue hal-04887442v1
Machine learning-driven mass transfer modeling and inverse design for nanofiltration membranes: a review Chunchun Meng,Haochen Zhu,Aziz Ghoufi Desalination, 2025, pp.119338. ⟨10.1016/j.desal.2025.119338⟩ Article dans une revue hal-05221232v1
Deciphering the role of water in ethanol uptake within PIM-1 membranes Morshed Mahmud,Bart Van Der Bruggen,Franck Artzner,Aziz Ghoufi,Anthony Szymczyk Journal of Membrane Science, 2025, 733, pp.124314. ⟨10.1016/j.memsci.2025.124314⟩ Article dans une revue hal-05103022v1
A discussion on the dynamical ergodicity/memory (breakdown) in hybrid MD/GCMC simulation of adsorption-induced transitions in metal–organic frameworks Aziz Ghoufi MRS Advances, 2025, ⟨10.1557/s43580-025-01462-x⟩ Article dans une revue hal-05388410v1
Atomistic computing of the solid–fluid surface free energy and tension Aziz Ghoufi Nature Reviews Physics, 2025, ⟨10.1038/s42254-025-00855-z⟩ Article dans une revue hal-05173667v1
Modeling Surface and Line Tensions of Nanoconfined Water using a Single Atomistic Simulation Grace-Espoir Makaya,Ayman Almos Kanaan,Lucas Tauv,Melisse Arribard,Aziz Ghoufi The Journal of Chemical Physics, In press Article dans une revue hal-05266132v1
Nanoscale Surface Tension, Adsorption Isotherms and Separation of Water–Ethanol Mixtures Confined between Graphene-Based Slit Pores Ilham Essafri,Franck Artzner,Aziz Ghoufi Journal of Physical Chemistry C, 2024, 128 (38), pp.16208-16219. ⟨10.1021/acs.jpcc.4c04594⟩ Article dans une revue hal-04713797v1
Water Adsorption within PIM-1 Polymer and CAU-23 MOF Material from Osmotic Molecular Dynamics Simulations. Simon Hoellard,Ayman Kanaan,Aziz Ghoufi MRS Advances, 2024, ⟨10.1557/s43580-024-01014-9⟩ Article dans une revue hal-04801072v1
Surface Tension Gradient-Driven Transport of Water/Ethanol Interface Confined in a Carbon Nanotube Ilham Essafri,Franck Artzner,Aziz Ghoufi International Journal of Heat and Mass Transfer, 2024 Article dans une revue hal-04730570v1
Etat des lieux de la prise en charge de l’orbitopathie dysthyroidïenne modérée à sévère active en France à partir de 28 centres experts métropolitains N. Ben Miloud,Matthieu Soethoudt,Boris Bienvenu,Pierre Lebranchu,Delphine Druiet al. Journal Français d'Ophtalmologie, 2024, 48 (1), pp.104301. ⟨10.1016/j.jfo.2024.104301⟩ Article dans une revue hal-04713799v1
Importance of the Electrostatic Correlations in Surface Tension of Hydrated Reline Deep Eutectic Solvent from Combined Experiments and Molecular Dynamics Simulations Jean-Baptiste Cuvellier,Jean-Michel Andanson,Karine Ballerat-Busserolles,Hyazann Hulin,Franck Artzneret al. Journal of Physical Chemistry B, 2024, 128 (16), pp.4008-4020. ⟨10.1021/acs.jpcb.3c08338⟩ Article dans une revue hal-04567375v1
Surface free energy calculation of the solid–fluid interfaces from molecular simulation Aziz Ghoufi AIP Advances, 2024, 14 (4), ⟨10.1063/5.0188578⟩ Article dans une revue hal-04567366v1
Multiscale modelling of transport in polymer-based reverse-osmosis/nanofiltration membranes: present and future Haochen Zhu,Anthony Szymczyk,Aziz Ghoufi Discover Nano, 2024, 19 (1), pp.91. ⟨10.1186/s11671-024-04020-w⟩ Article dans une revue hal-04613011v1
Microscopic insight into the shaping of MOFs and its impact on CO 2 capture performance Supriyo Naskar,Dong Fan,Aziz Ghoufi,Guillaume Maurin Chemical Science, 2023, 14 (38), pp.10435-10445. ⟨10.1039/d3sc04218a⟩ Article dans une revue hal-04266585v1
Metal-organic-framework transparency to water interactions for enhanced CO2 adsorption Aziz Ghoufi Physical Review Materials, 2023, Physical Review Materials, 7 (12), pp.126001. ⟨10.1103/physrevmaterials.7.126001⟩ Article dans une revue hal-04387053v1
Molecular Dynamics Simulation Study of Organic Solvents Confined in PIM-1 and P84 Polyimide Membranes M.-L. Ouinten,Anthony Szymczyk,Aziz Ghoufi Journal of Physical Chemistry B, 2023, 127 (5), pp.1237-1243. ⟨10.1021/acs.jpcb.2c05796⟩ Article dans une revue hal-03971812v1
Adsorption and dynamics of linear and mono-branched hexane isomers in MIL-140 metal–organic frameworks Hengli Zhao,José Silva,Adriano Henrique,Farid Nouar,Christian Serreet al. Physical Chemistry Chemical Physics, 2023, 25 (17), pp.12057-12064. ⟨10.1039/d2cp05371c⟩ Article dans une revue hal-04101308v1
Interactions between methanol/toluene binary mixtures and an organic solvent nanofiltration PIM-1 membrane M.-L. Ouinten,Anthony Szymczyk,Aziz Ghoufi Journal of Molecular Liquids, 2022, 357, pp.119146. ⟨10.1016/j.molliq.2022.119146⟩ Article dans une revue hal-03660979v1
Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension? Nadia Ben Chiekh Mansour,Julia Paredes,Hengli Zhao,Anthony Szymczyk,Ezzedine Ferjaniet al. Molecular Physics, 2022, 120 (8), ⟨10.1080/00268976.2022.2038296⟩ Article dans une revue hal-03629776v1
Effective Separation of Hexane Isomers in the Zr-MIL-140B Metal–Organic Framework Assisted by Applying Mechanical Pressure Hengli Zhao,Guillaume Maurin,Aziz Ghoufi Journal of Physical Chemistry C, 2022, 126 (5), pp.2905-2911. ⟨10.1021/acs.jpcc.1c10277⟩ Article dans une revue hal-03628388v1
Cutting-edge molecular modelling to unveil new microscopic insights into the guest-controlled flexibility of metal–organic frameworks Hengli Zhao,Camille Pelgrin-Morvan,Guillaume Maurin,Aziz Ghoufi Chemical Science, 2022, 13 (48), pp.14336-14345. ⟨10.1039/d2sc04174j⟩ Article dans une revue hal-03906449v1
Dynamics of water confined in mesopores with variable surface interaction Aicha Jani,Mark Busch,J Benedikt Mietner,Jacques Ollivier,Markus Appelet al. The Journal of Chemical Physics, 2021, 154 (9), pp.094505. ⟨10.1063/5.0040705⟩ Article dans une revue hal-03084464v2
Tuning the hexane isomer separation performances of Zeolitic Imidazole Framework-8 using mechanical pressure Hengli Zhao,Guillaume Maurin,Aziz Ghoufi The Journal of Chemical Physics, 2021, 154 (8), pp.084702. ⟨10.1063/5.0040469⟩ Article dans une revue hal-03190314v1
Static dielectric permittivity of ionic liquids ultraconfined in carbon nanotubes Nadia Ben Chiekh Mansour,M.-L. Ouinten,Armand Soldera,Anthony Szymczyk,Aziz Ghoufi Nano Express, 2021, 2 (1), ⟨10.1088/2632-959X/abed3f⟩ Article dans une revue hal-03280589v1
Molecular Insight into the Slow Dynamics of C 4 Hydrocarbons in the Zeolitic–Imidazole Framework (ZIF-8) Alexander Khudozhitkov,Hengli Zhao,Aziz Ghoufi,Sergei Arzumanov,Daniil Kolokolovet al. ACS Applied Materials & Interfaces, 2021, 13 (28), pp.33685-33692. ⟨10.1021/acsami.1c08529⟩ Article dans une revue hal-03320324v1
Effect of the alkyl chain length on the non-ideality and the microstructure of alcohol binary mixtures I. Essafri,Aziz Ghoufi Chemical Physics Letters, 2021, 775, pp.138654. ⟨10.1016/j.cplett.2021.138654⟩ Article dans une revue hal-03268333v1
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
Associated molecular liquids at the graphene monolayer interface Florent Goujon,Aziz Ghoufi,Patrice Malfreyt The Journal of Chemical Physics, 2021, 154 (10), ⟨10.1063/5.0042438⟩ Article dans une revue hal-03166486v1
Molecular origin of the prepeak in the structure factor of alcohols Aziz Ghoufi Journal of Physical Chemistry B, 2020, 124 (50), pp.11501-11509. ⟨10.1021/acs.jpcb.0c09302⟩ Article dans une revue hal-03130362v1
Force-Field Simulations of a Hydrated Lanreotide-Based Derivative: Hydration, Dynamics, and Numerical Evidence of Self-Assembly in Dimers Florian Pinzan,Franck Artzner,Aziz Ghoufi ACS Omega, 2020, 5 (39), pp.25423-25431. ⟨10.1021/acsomega.0c03852⟩ Article dans une revue hal-02992035v1
Anomalous dynamics of water at the octopeptide lanreotide surface Florian Pinzan,Franck Artzner,Aziz Ghoufi RSC Advances, 2020, 10 (56), pp.33903-33910. ⟨10.1039/d0ra06237e⟩ Article dans une revue hal-02992012v1
Dynamic Heterogeneities in Liquid Mixtures Confined in Nanopores Ramona Mhanna,Pierre Catrou,Sujeet Dutta,Ronan Lefort,Ilham Essafriet al. Journal of Physical Chemistry B, 2020, 124 (15), pp.3152-3162. ⟨10.1021/acs.jpcb.0c01035⟩ Article dans une revue hal-02523643v1
Hexane isomers separation on an isoreticular series of microporous Zr carboxylate metal organic frameworks Adriano Henrique,Tanmoy Maity,Hengli Zhao,Pedro F. Brantuas,Alirio E. Rodrigueset al. Journal of Materials Chemistry A, 2020, 8 (34), pp.17780-17789. ⟨10.1039/d0ta05538g⟩ Article dans une revue hal-03127304v1
Computational Assessment of Water Desalination Performance of Multi-Walled Carbon Nanotubes Aziz Ghoufi,Anthony Szymczyk Advanced Theory and Simulations, 2020, 3 (4), pp.1900254. ⟨10.1002/adts.201900254⟩ Article dans une revue hal-02531083v1
Symmetry breakings in a metal organic framework with a confined guest Céline Mariette,Elzbieta Trzop,Jean-Yves Mevellec,Abdou Boucekkine,Aziz Ghoufiet al. Physical Review B, 2020, 101 (13), ⟨10.1103/PhysRevB.101.134103⟩ Article dans une revue hal-02552322v1
Tailoring the separation properties of flexible metal-organic frameworks using mechanical pressure N. Chanut,Aziz Ghoufi,M.-V. Coulet,S. Bourrelly,B. Kuchtaet al. Nature Communications, 2020, 11 (1), pp.1216. ⟨10.1038/s41467-020-15036-y⟩ Article dans une revue hal-02535641v1
Water nano-diffusion through the Nafion fuel cell membrane B. Gilois,F. Goujon,A. Fleury,A. Soldera,Aziz Ghoufi Journal of Membrane Science, 2020, 602, pp.117958. ⟨10.1016/j.memsci.2020.117958⟩ Article dans une revue hal-02535640v1
Calculation of the interfacial tension of the graphene-water interaction by molecular simulations Thibaud Dreher,Claire Lemarchand,Nicolas Pineau,Emeric Bourasseau,Aziz Ghoufiet al. The Journal of Chemical Physics, 2019, 150 (1), pp.014703. ⟨10.1063/1.5048576⟩ Article dans une revue hal-01996694v1
Anomalous Dynamics of a Nanoconfined Gas in a Soft Metal-Organics Framework Roald Boulé,Claire Roiland,Thierry Bataille,Laurent Le Pollès,Nathalie Audebrandet al. Journal of Physical Chemistry Letters, 2019, 10 (8), pp.1698-1708. ⟨10.1021/acs.jpclett.9b00421⟩ Article dans une revue hal-02120743v1
Microstructure of nonideal methanol binary liquid mixtures I. Essafri,Aziz Ghoufi Physical Review E , 2019, 99 (6), pp.062607. ⟨10.1103/PhysRevE.99.062607⟩ Article dans une revue hal-02181618v1
Microphase separation of a miscible binary liquid mixture under confinement at the nanoscale Ilham Essafri,Denis Morineau,Aziz Ghoufi npj Computational Materials, 2019, 5 (1), pp.42. ⟨10.1038/s41524-019-0179-y⟩ Article dans une revue hal-02115632v1
Single-File Diffusion of Neo-Pentane Confined in the MIL-47(V) Metal-Organic Framework Aziz Ghoufi,Guillaume Maurin Journal of Physical Chemistry C, 2019, 123 (28), pp.17360-17367. ⟨10.1021/acs.jpcc.9b04308⟩ Article dans une revue hal-02278039v1
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
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 Szymczyket al. Molecular Simulation, 2019, 45 (4-5), pp.454-461. ⟨10.1080/08927022.2018.1502427⟩ Article dans une revue hal-01868083v1
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
Nanofiltration performance of conical and hourglass nanopores Béatrice Balannec,Aziz Ghoufi,Anthony Szymczyk Journal of Membrane Science, 2018, 552, pp.336-340. ⟨10.1016/j.memsci.2018.02.026⟩ Article dans une revue hal-01739978v2
Thermal and Guest-Assisted Structural Transition in the NH₂-MIL-53(Al) Metal Organic Framework A Molecular Dynamics Simulation Investigation Roald Boulé,Claire Roland,Laurent Le Pollès,Nathalie Audebrand,Aziz Ghoufi Nanomaterials, 2018, 8 (7), pp.531. ⟨10.3390/nano8070531⟩ Article dans une revue hal-01862496v1
Numerical evidence of heterogeneity and nanophases in a binary liquid confined at the nanoscale Essafri Ilham,Courtin Jules,Aziz Ghoufi Molecular Simulation, 2018, 44 (9), pp.728-735. ⟨10.1080/08927022.2018.1444762⟩ Article dans une revue hal-01740589v1
The extent of the glass transition from molecular simulation revealing an overcrank effect. Francois Godey,Alexandre Fleury,Aziz Ghoufi,Armand Soldera Journal of Computational Chemistry, 2018, 39 (5), pp.255-261. ⟨10.1002/jcc.25069⟩ Article dans une revue hal-01685256v1
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
Sphingolipid Gel/Fluid Phase Transition Measurement by Integrated Resonance Probe Light Qingyue Li,Lucas Garnier,V. Vié,Hervé Lhermite,Alain Moréacet al. Sensors & Transducers., 2018, 225, pp.41 - 48 Article dans une revue hal-01888242v1
Radial-based tail methods for Monte Carlo simulations of cylindrical interfaces F. Goujon,Bruno Bêche,P. Malfreyt,Aziz Ghoufi The Journal of Chemical Physics, 2018, 148 (9), pp.094702. ⟨10.1063/1.5020529⟩ Article dans une revue hal-01739982v1
High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material X. Davoy,A. Gellé,Jean-Christophe Le Breton,Hervé Tabuteau,A. Solderaet al. ACS Omega, 2018, 3 (6), pp.6305-6310. ⟨10.1021/acsomega.8b01076⟩ Article dans une revue hal-01834890v1
Importance of the tail corrections on surface tension of curved liquid-vapor interfaces Aziz Ghoufi,P. Malfreyt The Journal of Chemical Physics, 2017, 146 (8), pp.084703. ⟨10.1063/1.4976964⟩ Article dans une revue hal-01508401v1
Electrically Induced Breathing of the MIL-53(Cr) Metal-Organic Framework Aziz Ghoufi,Karima Benhamed,Leila Boukli-Hacene,Guillaume Maurin ACS Central Science, 2017, 3 (5), pp.394--398. ⟨10.1021/acscentsci.6b00392⟩ Article dans une revue hal-01559999v1
Role of MOF surface defects on the microscopic structure of MOF/polymer interfaces: A computational study of the ZIF-8/PIMs systems Rocio Semino,Naseem A. Ramsahye,Aziz Ghoufi,Guillaume Maurin Microporous and Mesoporous Materials, 2017, 254, pp.184-191. ⟨10.1016/j.micromeso.2017.02.031⟩ Article dans une revue hal-01631750v1
Room Temperature Self- and H 2 -Broadened Line Parameters of Carbon Monoxide in the First Overtone Band: Theoretical and Revised Experimental Results Koorosh Esteki,Adriana Predoi-Cross,Chad Povey,Sergey Ivanov,Aziz Ghoufiet al. Journal of Quantitative Spectroscopy and Radiative Transfer, 2017, 203, pp.309-324. ⟨10.1016/j.jqsrt.2017.04.008⟩ Article dans une revue hal-01533342v1
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 The Journal of Chemical Physics, 2017, 146 (21), pp.214112. ⟨10.1063/1.4984577⟩ Article dans une revue hal-01560002v1
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
Interactions of Organics within Hydrated Selective Layer of Reverse Osmosis Desalination Membrane: A Combined Experimental and Computational Study Aziz Ghoufi,Emil Dražević,Anthony Szymczyk Environmental Science and Technology, 2017, 51 (5), pp.2714-2719. ⟨10.1021/acs.est.6b05153⟩ Article dans une revue hal-01501259v1
Pressure-driven molecular dynamics simulations of water transport through a hydrophilic nanochannel Richard Renou,Anthony Szymczyk,Aziz Ghoufi Molecular Physics, 2016, 114 (18), pp.2655-2663. ⟨10.1080/00268976.2016.1170219⟩ Article dans une revue hal-01304200v1
Influence of the interface on the optical activity of confined glucose films Olivier Emile,Janine Emile,Aziz Ghoufi Journal of Colloid and Interface Science, 2016, 477, pp.103-108. ⟨10.1016/j.jcis.2016.05.047⟩ Article dans une revue hal-01331955v1
Hydration of a polyamide reverse-osmosis membrane Minxia Ding,Anthony Szymczyk,Aziz Ghoufi Journal of Membrane Science, 2016, 501, pp. 248-253. ⟨10.1016/j.memsci.2015.12.036⟩ Article dans une revue hal-01254792v1
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
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
Microscopic Model of the Metal-Organic Framework/Polymer Interface: A First Step toward Understanding the Compatibility in Mixed Matrix Membranes Rocio Semino,Naseem A. Ramsahye,Aziz Ghoufi,Guillaume Maurin ACS Applied Materials & Interfaces, 2016, 8 (1), pp.809-819. ⟨10.1021/acsami.5b10150⟩ Article dans une revue hal-01259519v1
Is Fine-Grained Simulation Able to Propose New Polyelectrolyte Membranes? Agnès Fleury,F. Godey,P. Laflamme,Aziz Ghoufi,A Soldera Fuel Cells, 2016, 16 (6), pp.675-681. ⟨10.1002/fuce.201600002⟩ Article dans une revue istex hal-01301358v1
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
Micro-Phase Separation of Binary Liquids Confined in Cylindrical Pores Abdel Razzak Abdel Hamid,Ramona Mhanna,Ronan Lefort,Aziz Ghoufi,Christiane Alba-Simionescoet al. Journal of Physical Chemistry C, 2016, 120 (17), pp.9245-9252. ⟨10.1021/acs.jpcc.6b01446⟩ Article dans une revue hal-01303306v1
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
CAN WE APPROACH THE GAS--LIQUID CRITICAL POINT USING SLAB SIMULATIONS OF TWO COEXISTING PHASES? Florent Goujon,Aziz Ghoufi,Patrice Malfreyt,Dominic J. Tildesley The Journal of Chemical Physics, 2016, 145 (12), pp.124702. ⟨10.1063/1.4962820⟩ Article dans une revue hal-01371385v1
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
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
On the structure and rejection of ions by a polyamide membrane in pressure-driven molecular dynamics simulations Minxia Ding,Anthony Szymczyk,Aziz Ghoufi Desalination, 2015, 368, pp.76-80. ⟨10.1016/j.desal.2015.01.003⟩ Article dans une revue istex hal-01115960v1
Tunable dielectric constant of water at the nanoscale Richard Renou,Anthony Szymczyk,Aziz Ghoufi Physical Review E : Statistical, Nonlinear, and Soft Matter Physics [2001-2015], 2015, 91 (3), pp.6. ⟨10.1103/PhysRevE.91.032411⟩ Article dans une revue hal-01134148v1
Surface Tension and Long Range Corrections of Cylindrical Interfaces Emeric Bourasseau,Patrice Malfreyt,Aziz Ghoufi The Journal of Chemical Physics, 2015, 143 (23), pp.234708. ⟨10.1063/1.4937924⟩ Article dans une revue hal-01238678v1
Dielectric anisotropy of water confined into the MIL-53(Cr) metal–organic framework Richard Renou,Anthony Szymczyk,Guillaume Maurin,Aziz Ghoufi Molecular Simulation, 2015, 41 (5-6), pp.483-489. ⟨10.1080/08927022.2014.958484⟩ Article dans une revue hal-01082625v1
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 Biardet al. 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 The Journal of Chemical Physics, 2015, 142 (18), pp.184706. ⟨10.1063/1.4921043⟩ Article dans une revue hal-01212247v1
Unravelling the Anomalous Dielectric Permittivity of Nanoconfined Electrolyte Solutions Richard Renou,Anthony Szymczyk,Aziz Ghoufi Nanoscale, 2015, 7 (15), pp.6661-6666. ⟨10.1039/C5NR00508F⟩ Article dans une revue hal-01132817v1
Theoretical investigation of the ionic selectivity of polyelectrolyte multilayer membranes in nanofiltration. Yonis Ibrahim Dirir,Yamina Hanafi,Aziz Ghoufi,Anthony Szymczyk Langmuir, 2015, 31 (1), pp.451-7. ⟨10.1021/la5044188⟩ Article dans une revue hal-01115962v1
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
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 Malfreytet al. 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 Malfreytet al. The Journal of Chemical Physics, 2014, 141, pp.204503. ⟨10.1063/1.4902012⟩ Article dans une revue hal-01121808v1
Slab thickness dependence of the surface tension: Toward a criterion of liquid sheets stability Gaelle Filippini,E. Bourasseau,Aziz Ghoufi,Florent Goujon,Patrice Malfreyt The Journal of Chemical Physics, 2014, 141, pp.081103. ⟨10.1063/1.4894399⟩ Article dans une revue hal-01078715v1
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
Nanoconfined gases, liquids and liquid crystals in porous materials Aziz Ghoufi Molecular Simulation, 2014, 40 (7-9), pp.698-712. ⟨10.1080/08927022.2013.829218⟩ Article dans une revue hal-00944455v1
Ultraconfinement of Aqueous Electrolytic Solutions within hydrophilic Nanotubes Richard Renou,Anthony Szymczyk,Aziz Ghoufi RSC Advances, 2014, 4 (62), pp.32755-32761. ⟨10.1039/C4RA04604H⟩ Article dans une revue hal-01030831v1
Water Confinement in Nanoporous Silica Materials Richard Renou,Anthony Szymczyk,Aziz Ghoufi The Journal of Chemical Physics, 2014, 140 (4), pp.044704. ⟨10.1063/1.4862648⟩ Article dans une revue hal-00941127v1
Thermotropic Luminescent Clustomesogen Showing a Nematic Phase: A Combination of Experimental and Molecular Simulation Studies Maria Amela-Cortés,Frederick Dorson,Marianne Prévôt,Aziz Ghoufi,Bruno Fontaineet al. Chemistry - A European Journal, 2014, 20 (28), pp.8561-8565. ⟨10.1002/chem.201402466⟩ Article dans une revue istex hal-01009904v1
Influence of the pore length on the properties of water confined in a silica nanopore Richard Renou,Anthony Szymczyk,Aziz Ghoufi Molecular Physics, 2014, 112 (17), pp.2275-2281. ⟨10.1080/00268976.2014.892167⟩ Article dans une revue hal-00963596v1
Surface tension of spherical drops from surface of tension Ahmed-Amine Homman,Emeric Bourasseau,Gabriel Stoltz,Patrice Malfreyt,Loic Strafellaet al. The Journal of Chemical Physics, 2014, 140 (3), pp.034110. ⟨10.1063/1.4862149⟩ Article dans une revue hal-00932843v1
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 Ghoufiet al. Chemical Physics Letters, 2014, 595-596, pp.209-213. ⟨10.1016/j.cplett.2014.02.014⟩ Article dans une revue hal-00965746v1
Discotic columnar liquid crystal studied in the bulk and nanoconfined states by molecular dynamics simulation Rémi Busselez,C. Cerclier,Ndao Makha,Aziz Ghoufi,Ronan Lefortet al. The Journal of Chemical Physics, 2014, 141 (13), pp.134902. ⟨10.1063/1.4896052⟩ Article dans une revue hal-01082685v1
Structure and dynamics of water confined in a polyamide reverse-osmosis membrane: A molecular-simulation study Minxia Ding,Anthony Szymczyk,Florent Goujon,Armand Soldera,Aziz Ghoufi Journal of Membrane Science, 2014, 458, pp.236-244. ⟨10.1016/j.memsci.2014.01.054⟩ Article dans une revue istex hal-00965675v1
Diffusion of Light Hydrocarbons in the Flexible MIL-53(Cr) Metal-Organic Framework: A Combination of Quasi-Elastic Neutron Scattering Experiments and Molecular Dynamics Simulations N. Rosenbach,H. Jobic,Aziz Ghoufi,T. Devic,M. M. Kozaet al. Journal of Physical Chemistry C, 2014, 118 (26), pp.14471-14477. ⟨10.1021/jp504900q⟩ Article dans une revue hal-01063251v1
Guest-modulation of the mechanical properties of flexible porous metal-organic frameworks Qintian Ma,Qingyuan Yang,Aziz Ghoufi,Ke Yang,Ming Leiet al. Journal of Materials Chemistry A, 2014, 2 (25), pp.9691-9698. ⟨10.1039/c4ta00622d⟩ Article dans une revue hal-01063250v1
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
Solvation Effects on Self-Association and Segregation Processes in tert -Butanol–Aprotic Solvent Binary Mixtures A. Abdel Hamid,R. Lefort,Y. Lechaux,A. Moreac,Aziz Ghoufiet al. Journal of Physical Chemistry B, 2013, 117 (35), pp.10221-10230. ⟨10.1021/jp402380f⟩ Article dans une revue hal-02115670v1
Giant optical activity of sugar in thin soap films. Janine Emile,Olivier Emile,Aziz Ghoufi,Alain Moréac,Federico Casanovaet al. Journal of Colloid and Interface Science, 2013, 408, pp.113-6. ⟨10.1016/j.jcis.2013.07.030⟩ Article dans une revue hal-00854447v1
Evaluation of MIL-47(V) for CO2-Related Applications P. L. Llewellyn,Sandrine Bourrelly,Christelle Vagner,Nicolas Heymans,Hervé Leclercet al. Journal of Physical Chemistry C, 2013, 117 (2), pp.962. ⟨10.1021/jp308525k⟩ Article dans une revue hal-00777354v1
Nanoconfined Electrolyte Solutions in porous Hydrophilic Silica Membranes. Richard Renou,Aziz Ghoufi,Anthony Szymczyk,H. Zhu,Jean-Claude Neytet al. 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
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
Solvation Effects on Self-association and Segregation Processes in tert-Butanol - Aprotic Solvent Binary Mixtures Abdel Razzak Abdelhamid,Ronan Lefort,Y. Lechaux,Alain Moréac,Aziz Ghoufiet al. Journal of Physical Chemistry B, 2013, 117 (35), pp.10221-10230. ⟨10.1021/jp402380f⟩ Article dans une revue hal-00854209v1
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 The 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
Comment on &quot;anomalous dielectric behavior of nanoconfined electrolytic solutions&quot;. Reply to comment. H. Zhu,Aziz Ghoufi,Anthony Szymczyk,B. Balannec,D. Morineau Physical Review Letters, 2013, 111 (8), pp.089802/1--089802/2. ⟨10.1103/PhysRevLett.111.089801⟩ Article dans une revue hal-01069721v1
Molecular simulations of polyamide reverse osmosis membranes Minxia Ding,Aziz Ghoufi,Anthony Szymczyk Desalination, 2013, 343, pp.48-53. ⟨10.1016/j.desal.2013.09.024⟩ Article dans une revue istex hal-00876534v1
Confinement of Ter-Butanol Nanoclusters in Hydrophilic and Hydrophobic Silica Nanopores Aziz Ghoufi,Ivanne Hureau,Denis Morineau,Richard Renou,Anthony Szymczyk Journal of Physical Chemistry C, 2013, 117 (29), pp.15203-15212. ⟨10.1021/jp404702j⟩ Article dans une revue hal-00844538v1
Zhu et al. Reply H. Zhu,Aziz Ghoufi,Anthony Szymczyk,Béatrice Balannec,Denis Morineau Physical Review Letters, 2013, 111, pp.089802. ⟨10.1103/PhysRevLett.111.089802⟩ Article dans une revue hal-00856004v1
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 istex hal-01072051v1
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
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 istex hal-00921482v1
Computation of the hindrance factor for the diffusion for nanoconfined ions: molecular dynamics simulations versus continuum-based models Haochen Zhu,Aziz Ghoufi,Anthony Szymczyk,Béatrice Balannec,Denis Morineau Molecular Physics, 2012, 110 (11-12), pp.1107-1114. ⟨10.1080/00268976.2011.645896⟩ Article dans une revue hal-00835450v1
Theoretical hydrogen cryostorage in doped MIL-101(Cr) Metal-Organic Frameworks Aziz Ghoufi,Johnny Deschamps,Guillaume Maurin Journal of Physical Chemistry C, 2012, 116, pp.10504. ⟨10.1021/jp301375s⟩ Article dans une revue hal-00714284v1
Calculation of local dielectric permittivity of confined liquids from spatial dipolar correlations Aziz Ghoufi,Anthony Szymczyk,Richard Renou,Minxia Ding EPL - Europhysics Letters, 2012, 99 (3), pp.37008. ⟨10.1209/0295-5075/99/37008⟩ Article dans une revue hal-00870061v1
Calculation of the surface tension and pressure components from a non-exponential perturbation method of the thermodynamic route. Aziz Ghoufi,Patrice Malfreyt The 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
Anomalous Dielectric Behavior of Nanoconfined Electrolytic Solutions Haochen Zhu,Aziz Ghoufi,Anthony Szymczyk,Béatrice Balannec,Denis Morineau Physical Review Letters, 2012, 109 (107801), pp.1-5. ⟨10.1103/PhysRevLett.109.107801⟩ Article dans une revue hal-00878917v1
Comparative Guest, Thermal, and Mechanical Breathing of the Porous Metal Organic Framework MIL-53(Cr): A Computational Exploration Supported by Experiments Aziz Ghoufi,A. Subercaze,Quintian Ma,Pascal G. Yot,Yang Keet al. Journal of Physical Chemistry C, 2012, 116 (24), pp.13289−13295. ⟨10.1021/jp303686m⟩ Article dans une revue hal-00707677v1
Separation of CO2/CH4 mixtures in the mesoporous MIL-100(Cr) MOF : experimental and modelling approaches Lomig Hamon,Nicolas Heymans,P. L. Llewellyn,V. Guillerm,Aziz Ghoufiet al. Dalton Transactions, 2012, 41 (14), pp.4052. ⟨10.1039/c2dt12102f⟩ Article dans une revue hal-00714283v1
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
Guest dependent pressure behavior of the flexible MIL-53(Cr): A computational approach Qintian Ma,Q.Y. Yang,Aziz Ghoufi,Gerard Ferey,C. Zhonget al. Dalton Transactions, 2012, 41, pp.3915. ⟨10.1039/C2DT12002J⟩ Article dans une revue hal-00714291v1
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
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 [2001-2015], 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 The Journal of Chemical Physics, 2011, 135 (10), pp.4105. ⟨10.1063/1.3632991⟩ Article dans une revue hal-00714090v1
Exploration of the Long-Chain N-Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools Irena Deroche,Sébastien Rives,Q.Y. Yang,Aziz Ghoufi,Naseem Ramsahyeet al. Journal of Physical Chemistry C, 2011, 115 (28), pp.13868-13876. ⟨10.1021/jp2039527⟩ Article dans une revue hal-00607900v1
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 The Journal of Chemical Physics, 2011, 134 (3), pp.034116. ⟨10.1063/1.3516519⟩ Article dans une revue hal-00711631v1
Large breathing of the MOF MIL-47(VIV) under mechanical pressure: A joint experimental-modelling exploration Pascal G. Yot,Quintian Ma,Julien Haines,Qingyuan Yang,Aziz Ghoufiet al. Chemical Science, 2011, 3, pp.1100-1104. ⟨10.1039/C2SC00745B⟩ Article dans une revue hal-00654130v1
Molecular simulations of confined liquids: An alternative to the grand canonical Monte Carlo simulations Aziz Ghoufi,Denis Morineau,Ronan Lefort,Ivanne Hureau,Leita Hennouset al. The 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
Hydrogen-Bond-Induced Supermolecular Assemblies in a Nanoconfined Tertiary Alcohol Aziz Ghoufi,Ivanne Hureau,Ronan Lefort,Denis Morineau Journal of Physical Chemistry C, 2011, 115 (36), pp.17761-17767. ⟨10.1021/jp205943p⟩ Article dans une revue hal-00713912v1
Surface tension of water-alcohol mixtures from Monte Carlo simulations. Frédéric Biscay,Aziz Ghoufi,Patrice Malfreyt The Journal of Chemical Physics, 2011, 134 (4), pp.044709. ⟨10.1063/1.3544926⟩ Article dans une revue hal-00711644v1
Molecular Insight into the Adsorption of H2S in the Flexible MIL-53(Cr) and Rigid MIL-47(V) MOFs: Infrared Spectroscopy Combined to Molecular Simulations Lomig Hamon,Aziz Ghoufi,Laetitia Oliviero,Arnaud Travert,Jean-Claude Lavalleyet al. Journal of Physical Chemistry C, 2011, 115 (5), pp.2047. ⟨10.1021/jp1092724⟩ Article dans une revue hal-00607870v1
The non-Gaussian dynamics of glycerol Rémi Busselez,Ronan Lefort,Aziz Ghoufi,Brigitte Beuneu,Bernhard Fricket al. Journal of Physics: Condensed Matter, 2011, 23 (50), pp.5102. ⟨10.1088/0953-8984/23/50/505102⟩ Article dans une revue hal-00697059v1
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 istex hal-01072094v1
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
Physics behind the guest assisted structural transitions of a Porous Metal-Organic Framework material Aziz Ghoufi,Guillaume Maurin,Gerard Ferey Journal of Physical Chemistry Letters, 2010, 1 (19), pp.2810-2815. ⟨10.1021/jz1011274⟩ Article dans une revue hal-00518346v1
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 [2001-2015], 2010, 82, pp.016706. ⟨10.1103/PhysRevE.82.016706⟩ Article dans une revue hal-00914996v1
Hybrid Monte Carlo Simulations Combined with a Phase Mixture Model to Predict the Structural Transitions of a Porous Metal−Organic Framework Material upon Adsorption of Guest Molecules Aziz Ghoufi,Guillaume Maurin Journal of Physical Chemistry C, 2010, 114 (14), pp.6496. ⟨10.1021/jp911484g⟩ Article dans une revue hal-00474409v1
Unusual Chain Length Dependence of n-Alkanes diffusion in the Metal Organic Framework MIL-47(V) : the Blowgun effect H. Jobic,Nilton Rosenbach,Aziz Ghoufi,D. Kolokolov,Pascal G. Pgy Yotet al. Chemistry - A European Journal, 2010, 16 (34), pp.10337. ⟨10.1002/chem.201001521⟩ Article dans une revue istex hal-00518337v1
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
Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal organic frameworks : A combination of molecular simulations and microcalorimetry/gravimetry measurements Nilton Rosenbach,Aziz Ghoufi,Irena Deroche,P. L. Llewellyn,Thomas Devicet al. Physical Chemistry Chemical Physics, 2010, 12, pp.6428. ⟨10.1039/c001173h⟩ Article dans une revue istex hal-00518185v1
Monte Carlo calculations of the methane-water interfacial tension at high pressures Frédéric Biscay,Aziz Ghoufi,Véronique Lachet,Patrice Malfreyt The Journal of Chemical Physics, 2009, 131, pp.124707 Article dans une revue hal-00477635v1
Transport Diffusivity of CO2 in the Highly Flexible Metal-Organic Framework MIL-53(Cr) Fabrice Salles,Hervé Jobic,Aziz Ghoufi,P. L. Llewellyn,C. Serreet al. Angewandte Chemie International Edition, 2009, 48 (44), pp.8335. ⟨10.1002/anie.200902998⟩ Article dans une revue istex hal-00474365v1
Pore dimensionality effects on the dynamics of a nanoconfined liquid-crystal Qing Ji,Ronan Lefort,Aziz Ghoufi,Denis Morineau Chemical Physics Letters, 2009, 482 (4-6), pp.234-238. ⟨10.1016/j.cplett.2009.10.021⟩ Article dans une revue istex hal-00665641v1
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 The 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
Coadsorption of CO2, CH4 and their binary mixture in NaY: a combination of molecular simulation with gravimetry-manometry measurements and microcalorimetry Aziz Ghoufi,L. Gaberova,Dominique Vincent,J. Rouquerol,P. L. Llewellynet al. Microporous and Mesoporous Materials, 2009, 119 (1-3), pp.117. ⟨10.1016/j.micromeso.2008.10.014⟩ Article dans une revue istex hal-00474359v1
Co-adsorption and Separation of CO2-CH4 Mixtures in the Highly Flexible MIL-53(Cr) MOF Lomig Hamon,P. L. Llewellyn,Thomas Devic,Aziz Ghoufi,G. Cletet al. Journal of the American Chemical Society, 2009, 131 (47), pp.17490. ⟨10.1021/ja907556q⟩ Article dans une revue hal-00474372v1
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 The 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 The Journal of Chemical Physics, 2009, 131 (12), pp.124707. ⟨10.1063/1.3236390⟩ Article dans une revue hal-00665475v1
Multiple Histogram Reweighting method for the surface tension calculation. Aziz Ghoufi,Florent Goujon,Véronique Lachet,Patrice Malfreyt The Journal of Chemical Physics, 2008, 128, pp.154718 Article dans une revue hal-00295150v1
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
Combined Quasi-Elastic Neutron Scattering and Molecular Dynamics study of methane diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr), Nilton Rosenbach,Hervé Jobic,Aziz Ghoufi,Fabrice Salles,Guillaume Maurinet al. Angewandte Chemie, 2008, 47, pp.6611. ⟨10.1002/anie.200801748⟩ Article dans une revue hal-00335180v1
Optimisation of the dynamical behaviour of the Anisotropic United Atom Model of branched alkanes. Application to the molecular simulation of fuel gasoline Carlos Nieto-Draghi,Anthony Bocahut,Benoît Creton,Pascal Have,Aziz Ghoufiet al. Molecular Simulation, 2008, 34 (02), pp.211-230. ⟨10.1080/08927020801993370⟩ Article dans une revue hal-00515029v1
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 [2001-2015], 2008, 77, pp.031601 Article dans une revue hal-00295146v1
Surface tension of water and acid gazes from Monte Carlo simulations Aziz Ghoufi,Florent Goujon,Véronique Lachet,Patrice Malfreyt The Journal of Chemical Physics, 2008, 128, pp.154716 Article dans une revue hal-00295151v1
Molecular dynamics simulations of breathing MOFs: Structural transformations of MIL-53(Cr) upon thermal activation and CO2 adsorption F. Salles,Aziz Ghoufi,Guillaume Maurin,R. Bell,C. Mellot-Drazniekset al. Angewandte Chemie International Edition, 2008, 47, pp.8784. ⟨10.1002/anie.200803067⟩ Article dans une revue hal-00335192v1
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. Boutinet al. ChemPhysChem, 2007, 8 (11), pp.1648-1656 Article dans une revue hal-00187793v1
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. Boutinet al. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics [2001-2015], 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 Bonalet al. Journal of Physical Chemistry B, 2007, 111 (11478-11485), 7 p Article dans une revue hal-00293450v1
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
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 absolute thermodynamic properties of association of host-guest systems from the intermolecular potential of mean force Aziz Ghoufi,Patrice Malfreyt The Journal of Chemical Physics, 2006, 125, pp.224503-1 Article dans une revue hal-00342614v1
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
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
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

Communication dans un congrès (28)

Dynamics of Water Confined in Mesopores with Variable Surface Interaction Aicha Jani,B. Malfait,Mark Busch,Benedikt Mietner,Jacques Ollivieret al. Journées de la Matière Condensée, Aug 2021, Rennes, France Communication dans un congrès hal-03385973v1
Dynamics of Water Confined in Mesopores with Variable Surface Interaction Aicha Jani,Mark Busch,J. Benedikt Mietner,Jacques Ollivier,Markus Appelet al. Journées Scientifiques de l’Association Française de l'Adsorption, Jan 2021, online, France Communication dans un congrès hal-03386044v1
Dynamic heterogeneities in liquid mixtures confined in nanopores Aicha Jani,Ramona Mhanna,Benedikt Mietner,Mark Busch,Jean-Marc Zanottiet al. InterPore2020 - 12th annual meeting, Aug 2020, Online, China. pp.1302 Communication dans un congrès hal-03076696v1
Binary solvents in nanoporous confinement: how different are they?” Denis Morineau,Aicha Jani,Ramona Mhanna,Sujeet Dutta,Ronan Lefortet al. InterPore2019, May 2019, Valencia, Spain Communication dans un congrès hal-02368460v1
Polymer Resonators for Thermodynamics Fatty Acids Changing State Detection Lucas Garnier,Rigoberto Castro -Beltran,Arnaud Saint-Jalmes,Hervé Lhermite,Eric Gicquelet al. PIERS PhotonIcs & Electromagnetics Research Symposium, Jun 2019, Rome, Italy Communication dans un congrès hal-01979422v1
Investigating the Detection of Lipids gel/fluid Phase Transition by Change of Scattering Light and Coupling Factor into Optical Microresonators Bruno Bêche,Qingyue Li,Véronique Vié,Lucas Garnier,Hervé Lhermiteet al. OPAL' 2018 - First International Conference on Optics, Photonics and Lasers proceeding, pp. 10-12,, May 2018, Barcelone, Spain Communication dans un congrès hal-01645849v3
Revealing the micro-phase-separated state of binary fluids confined in nanocapillaries: Only neutron could do that! Ramona Mhanna,Abdel Razzak Abdel Hamid,Sujeet Dutta,Ronan Lefort,Aziz Ghoufiet al. Journées de la Diffusion Neutronique 2017, May 2017, Carry Le Rouet, France Communication dans un congrès hal-01576269v1
Core-shell tubular structures of binary liquids confined in cylindrical nanopores Denis Morineau,Ronan Lefort,Abdel Razzak Abdel Hamid,Ramona Mhanna,Sujeet Duttaet al. 8th International Conference on Porous Media & Annual Meeting, May 2016, Cincinnati, United States Communication dans un congrès hal-01576246v1
Experimental and theoretical line parameters for self-and H2-broadened transitions in the first overtone band of CO Koorosh Esteki,Adriana Predoi-Cross,Hossein Naseri,Sergey Ivanov,Aziz Ghoufiet al. ASA - HITRAN 2016 Conference, Aug 2016, Reims, France Communication dans un congrès hal-01370806v1
MICROPHASE SEPARATION OF BINARY LIQUIDS CONFINED IN CYLINDRICAL NANOPORES Denis Morineau,Ronan Lefort,Abdel Razzak Abdel Hamid,Ramona Mhanna,Sujeet Duttaet al. 6th WORKSHOP NIMS – UR1 – CNRS – Saint Gobain, Oct 2016, Fukuoka, Japan Communication dans un congrès hal-01576249v1
Mesoscopic order of bulk and nanoconfined H-bonded binary liquid mixtures Abdel Razzak Abdelhamid,C. Alba-Simionesco,B. Frick,Aziz Ghoufi,Ronan Lefortet al. "Structure of disordered systems" opening celebration of the new 7C2 spectrometer, Sep 2013, Saclay, France Communication dans un congrès hal-00926794v1
Diffusion of H2, alkanes and CO2 in rigid and flexible metal-organic framework materials using a combination of molecular dynamics and neutron scattering measurements F. Salles,H. Jobic,Aziz Ghoufi,T. Devic,C. Serreet al. Fundamentals and Adsorption, FOA10, May 2010, Awaji, Osaka, Japan Communication dans un congrès hal-00471526v1
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
Diffusion of short n-alkanes in rigid MIL-47(V) and flexible MIL-53(Cr) metal organic frameworks N. Rosenbach,H. Jobic,Aziz Ghoufi,D. Kolokolov,P. Yotet al. IIZC-IMMS 2010, 6th International Zeolite Conference & 7th International Mesostructures Materials, Jul 2010, Sorrento, Italy Communication dans un congrès hal-00471560v1
Study of Hydrogen sulphide adsorption on MIL-47(V) and MIL-53(Al,Cr,Fe) Metal Organic Frameworks by isotherms measurements and in-situ IR experiments Lomig Hamon,Alexandre Vimont,Christian Serre,Thomas Devic,Aziz Ghoufiet al. 8 thInternational Symposium on the Characterisation of Porous Solids, 2009, Edinbourg, United Kingdom Communication dans un congrès hal-00670851v1
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
Physical properties of liquid-crystal / porous silicon hybrid nanomaterials Denis Morineau,Gilbert Chahine,Ronan Lefort,Mohammed Guendouz,Aziz Ghoufiet al. 3rd International Conference on Transparent Optical Networks - Mediterranean Winter (ICTON-MW'09), Dec 2009, Angers, France Communication dans un congrès hal-00978502v1
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
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, Cannes, France Communication dans un congrès hal-00342640v1
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
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
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
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 Ungereret al. 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
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
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
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

Poster de conférence (2)

Multiscale modelling of sarcoma and bone tissue synergy and interactions Maxime Vassaux,Arnaud Bardouil,Aziz Ghoufi,Franck Artzner 25 èmes Journées Jeunes Chercheurs en cancérologie, Nov 2021, Paris, France Poster de conférence hal-03452528v1
Giant optical activity of sugar in thin soap films Janine Emile,Olivier Emile,Aziz Ghoufi,Alain Moréac Journées du C’Nano Nord Ouest, Nov 2013, Rennes, France Poster de conférence hal-01135914v1

Thèse (1)

Méthodologies de simulation moléculaire pour le calcul de grandeurs thermodynamiques d'association : théorie et application à différents types de complexes Aziz Ghoufi Chimie analytique. Université Blaise Pascal - Clermont-Ferrand II, 2006. Français. ⟨NNT : 2006CLF21655⟩ Thèse tel-00691202v1