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

The journal of physical chemistry. B, 2016-02, Vol.120 (4), p.793-802

2016

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

The Journal of chemical physics, 2012-01, Vol.136 (2), p.024104-024104-6

2012

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Multiscale Modeling of the Polymer–Silica Surface Interaction: From Atomistic to Mesoscopic Simulations

Journal of physical chemistry. C, 2015-03, Vol.119 (9), p.4817-4826

2015

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Surface tension of water-alcohol mixtures from Monte Carlo simulations

The Journal of chemical physics, 2011-01, Vol.134 (4), p.044709-044709-10

2011

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Realistic Coarse-Grain Model of cis-1,4-Polybutadiene: From Chemistry to Rheology

Macromolecules, 2019-04, Vol.52 (7), p.2736-2747

2019

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Multiscale Modeling Approach toward the Prediction of Viscoelastic Properties of Polymers

Journal of chemical theory and computation, 2012-11, Vol.8 (11), p.4570-4579

2012

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The pair distribution function in the planar gas–liquid interface: Application to the calculation of the surface tension

The Journal of chemical physics, 2019-11, Vol.151 (20), p.204702-204702

2019

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

The Journal of chemical physics, 2009-05, Vol.130 (18), p.184710-184710-13

2009

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Calculation of a solid/liquid surface tension: A methodological study

The Journal of chemical physics, 2018-01, Vol.148 (3), p.034702-034702

2018

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

The Journal of chemical physics, 2009-09, Vol.131 (12), p.124707-124707

2009

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

Journal of physical chemistry. C, 2011-05, Vol.115 (17), p.8670-8683

2011

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Monte Carlo Simulations of the Pressure Dependence of the Water−Acid Gas Interfacial Tensions

The journal of physical chemistry. B, 2009-10, Vol.113 (43), p.14277-14290

2009

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Autohesion Mechanisms at Interfaces Between Random Copolymer Melts: Mesoscopic Simulations with Realistic Coarse-Grained Models

Chemphyschem, 2024-08, Vol.25 (16), p.e202400114

2024

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Anisotropic surface stresses of a solid/fluid interface: Molecular dynamics calculations for the copper/methane interface

The Journal of chemical physics, 2019-12, Vol.151 (24), p.244703-244703

2019

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Surface tension of water and acid gases from Monte Carlo simulations

The Journal of chemical physics, 2008-04, Vol.128 (15), p.154716-154716-16

2008

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Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale

Journal of chemical theory and computation, 2022-11, Vol.18 (11), p.6940-6951

2022

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Surface tension and long range corrections of cylindrical interfaces

The Journal of chemical physics, 2015-12, Vol.143 (23), p.234708-234708

2015

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

The Journal of chemical physics, 2017-06, Vol.146 (21), p.214112

2017

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Nanoconfined Electrolyte Solutions in Porous Hydrophilic Silica Membranes

Journal of physical chemistry. C, 2013-05, Vol.117 (21), p.11017-11027

2013

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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 Journal of chemical physics, 2013-07, Vol.139 (2), p.024701-024701

2013

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

The Journal of chemical physics, 2014-08, Vol.141 (8), p.081103-081103

2014

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

Molecular physics, 2014-10, Vol.112 (20), p.2654-2657

2014

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Molecular Dynamics Simulations of Ferrocene-Terminated Self-Assembled Monolayers

The journal of physical chemistry. B, 2010-05, Vol.114 (19), p.6447-6454

2010

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Atomistic Descriptions of the cis-1,4-Polybutadiene/Silica Interfaces

ACS applied polymer materials, 2019-05, Vol.1 (5), p.969-981

2019

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

Physical review. E, Statistical, nonlinear, and soft matter physics, 2011-05, Vol.83 (5 Pt 1), p.051601-051601, Article 051601

2011

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

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

Multiscale Modeling of the Polymer–Silica Surface Interaction: From Atomistic to Mesoscopic Simulations

Surface tension of water-alcohol mixtures from Monte Carlo simulations

Realistic Coarse-Grain Model of cis-1,4-Polybutadiene: From Chemistry to Rheology

Multiscale Modeling Approach toward the Prediction of Viscoelastic Properties of Polymers

The pair distribution function in the planar gas–liquid interface: Application to the calculation of the surface tension

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

Calculation of a solid/liquid surface tension: A methodological study

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

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

Monte Carlo Simulations of the Pressure Dependence of the Water−Acid Gas Interfacial Tensions

Autohesion Mechanisms at Interfaces Between Random Copolymer Melts: Mesoscopic Simulations with Realistic Coarse-Grained Models

Anisotropic surface stresses of a solid/fluid interface: Molecular dynamics calculations for the copper/methane interface

Surface tension of water and acid gases from Monte Carlo simulations

Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale

Surface tension and long range corrections of cylindrical interfaces

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

Nanoconfined Electrolyte Solutions in Porous Hydrophilic Silica Membranes

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

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

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

Molecular Dynamics Simulations of Ferrocene-Terminated Self-Assembled Monolayers

Atomistic Descriptions of the cis-1,4-Polybutadiene/Silica Interfaces

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

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