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List of works by Patrice Malfreyt

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

scientific article published on 01 December 2019

Associations of Water-Soluble Macrocyclic Hosts with 4-Aminoazobenzene: Impact of pH

scientific article published on 04 December 2018

Backbone oriented anisotropic coarse grains for efficient simulations of polymers

scientific article published on 01 December 2020

Bulk and liquid-vapor interface of pyrrolidinium-based ionic liquids: a molecular simulation study

scientific article published on 10 January 2014

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

scientific article published on 01 January 2019

Development of Coarse-Grained Models for Polymers by Trajectory Matching

scientific article published on 28 March 2019

Free‐energy calculations of the host–guest association in grafted supramolecular assemblies

scientific article published on 31 July 2020

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

scientific article published on 13 April 2018

Multi-scale modeling of the polymer-filler interaction

scientific article published on 01 February 2020

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

scientific article published on 01 November 2019

Using molecular simulation to understand the structure of [C2C1im]+-alkylsulfate ionic liquids: bulk and liquid-vapor interfaces

scientific article published on 20 November 2012

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