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

An EQT-based cDFT approach for thermodynamic properties of confined fluid mixtures

(2017) M. H. Motevaselian et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2016) Aziz Ghoufi et al.   CHEMICAL SOCIETY REVIEWS

Physics behind Water Transport through Nanoporous Boron Nitride and Graphene

(2016) Ludovic Garnier et al.   Journal of Physical Chemistry Letters

An EQT-cDFT approach to determine thermodynamic properties of confined fluids

(2015) S. Y. Mashayak et al.   JOURNAL OF CHEMICAL PHYSICS

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

(2015) Gabriel V. Lau et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-Graining the Liquid–Liquid Interfaces with the MARTINI Force Field: How Is the Interfacial Tension Reproduced?

(2015) Makha Ndao et al.   Journal of Chemical Theory and Computation

Local pressure components and interfacial tension at a liquid-solid interface obtained by the perturbative method in the Lennard-Jones system

(2014) K. Fujiwara et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanical Strength of Nanoporous Graphene as a Desalination Membrane

(2014) David Cohen-Tanugi et al.   NANO LETTERS

Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures

(2014) Gabriele Tocci et al.   NANO LETTERS

Comparison of the interfacial dynamics of water sandwiched between static and free-standing fully flexible graphene sheets

(2014) Sanket A. Deshmukh et al.   Soft Matter

Understanding wetting of immiscible liquids near a solid surface using molecular simulation

(2013) Vaibhaw Kumar et al.   JOURNAL OF CHEMICAL PHYSICS

Lennard-Jones systems near solid walls: Computing interfacial free energies from molecular simulation methods

(2013) Ronald Benjamin et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of the surface tension of planar interfaces by molecular simulations: from Lennard-Jones fluids to binary mixtures

(2013) Patrice Malfreyt   MOLECULAR SIMULATION

Giant osmotic energy conversion measured in a single transmembrane boron nitride nanotube

(2013) Alessandro Siria et al.   NATURE

Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride Sheets

(2012) Hui Li et al.   ACS Nano

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

(2012) A. Ghoufi et al.   JOURNAL OF CHEMICAL PHYSICS

A molecular dynamics study to determine the solid-liquid interfacial tension using test area simulation method (TASM)

(2012) Anjan R. Nair et al.   JOURNAL OF CHEMICAL PHYSICS

Water Desalination across Nanoporous Graphene

(2012) David Cohen-Tanugi et al.   NANO LETTERS

Membrane-based processes for sustainable power generation using water

(2012) Bruce E. Logan et al.   NATURE

Surface tension of water–alcohol mixtures from Monte Carlo simulations

(2011) F. Biscay et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2011) Aziz Ghoufi et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2011) F. Biscay et al.   Journal of Physical Chemistry C

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

(2011) A. Ghoufi et al.   PHYSICAL REVIEW E

Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study

(2010) Ravi C. Dutta et al.   FLUID PHASE EQUILIBRIA

Insights into the orbital invariance problem in state-specific multireference coupled cluster theory

(2010) Francesco A. Evangelista et al.   JOURNAL OF CHEMICAL PHYSICS

Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension

(2010) José G. Sampayo et al.   JOURNAL OF CHEMICAL PHYSICS

Water Transport through Ultrathin Graphene

(2010) Myung E. Suk et al.   Journal of Physical Chemistry Letters

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

(2010) Aziz Ghoufi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular dynamics simulation of wetting on modified amorphous silica surface

(2009) Jingchun Chai et al.   APPLIED SURFACE SCIENCE

Nanofluidics, from bulk to interfaces

(2009) Lydéric Bocquet et al.   CHEMICAL SOCIETY REVIEWS

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

(2009) F. Biscay et al.   JOURNAL OF CHEMICAL PHYSICS

Wettability and Surface Free Energy of Graphene Films

(2009) Shiren Wang et al.   LANGMUIR

Multiple histogram reweighting method for the surface tension calculation

(2008) A. Ghoufi et al.   JOURNAL OF CHEMICAL PHYSICS