List of works - Bernard Rousseau

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes.

scientific article

A new model for thermal diffusion: kinetic approach.

scientific article published on 25 July 2008

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride)

scientific article published on 19 December 2014

Coarse-grained simulations of cis- and trans-polybutadiene: A bottom-up approach

scientific article published in February 2017

Competition reactions of H2O•+ radical in concentrated Cl- aqueous solutions: picosecond pulse radiolysis study

scientific article published on 14 November 2012

Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics.

scientific article published in March 2005

Conservative and dissipative force field for simulation of coarse-grained alkane molecules: a bottom-up approach

scientific article published on 01 April 2014

Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene

scientific article published on 01 October 2004

Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations

scientific article published on 01 April 2013

Isotopic Soret effect in ternary mixtures: Theoretical predictions and molecular simulations

scientific article published on November 2015

Limit of miscibility and nanophase separation in associated mixtures.

scientific article

Microscopic interpretation of a pure chemical contribution to the Soret effect

scientific article published on 23 March 2007

Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties

scientific article published on 01 May 2018

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

scientific article published on 3 May 2007

Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface

scientific article published in December 2004

On a variational approach to the Soret coefficient

scientific article published on 01 October 2006

On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methods.

scientific article published on 10 April 2013

Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties

scientific article published on 01 July 2006

Optimization of the anisotropic united atoms intermolecular potential forn-alkanes

Parameterization of a mesoscopic model for the self-assembly of linear sodium alkyl sulfates

scientific article published on 01 May 2014

Preventing iron(ii) precipitation in aqueous systems using polyacrylic acid: some molecular insights

scientific article published on 01 July 2018

Simulations of Interfacial Tension of Liquid-Liquid Ternary Mixtures Using Optimized Parametrization for Coarse-Grained Models

scientific article published on 05 July 2018

Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: a comparison with experiments

scientific article published on 18 September 2002

Thermodiffusion in multicomponent n-alkane mixtures.

scientific article published on 11 August 2017

Viscosity of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics

scientific article published on 10 December 2009

List of works by Bernard Rousseau