Multiscale Modeling of the Polymer–Silica Surface Interaction: From Atomistic to Mesoscopic Simulations
Maurel, G, Goujon, F, Schnell, B, Malfreyt, P
Published in Journal of physical chemistry. C (05.03.2015)
Published in Journal of physical chemistry. C (05.03.2015)
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Journal Article
Calculation of a solid/liquid surface tension: A methodological study
Dreher, T, Lemarchand, C, Soulard, L, Bourasseau, E, Malfreyt, P, Pineau, N
Published in The Journal of chemical physics (21.01.2018)
Published in The Journal of chemical physics (21.01.2018)
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Journal Article
Multiscale Modeling Approach toward the Prediction of Viscoelastic Properties of Polymers
Maurel, G, Schnell, B, Goujon, F, Couty, M, Malfreyt, P
Published in Journal of chemical theory and computation (13.11.2012)
Published in Journal of chemical theory and computation (13.11.2012)
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Journal Article
Surface tension of water and acid gases from Monte Carlo simulations
Ghoufi, A, Goujon, F, Lachet, V, Malfreyt, P
Published in The Journal of chemical physics (21.04.2008)
Published in The Journal of chemical physics (21.04.2008)
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Journal Article
Monte Carlo calculation of the methane-water interfacial tension at high pressures
Biscay, F, Ghoufi, A, Lachet, V, Malfreyt, P
Published in The Journal of chemical physics (28.09.2009)
Published in The Journal of chemical physics (28.09.2009)
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Journal Article
Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations
Biscay, F, Ghoufi, A, Lachet, V, Malfreyt, P
Published in Journal of physical chemistry. C (05.05.2011)
Published in Journal of physical chemistry. C (05.05.2011)
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Journal Article
Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale
Nkepsu Mbitou, R. L., Goujon, F., Dequidt, A., Latour, B., Devémy, J., Blaak, R., Martzel, N., Emeriau-Viard, C., Tchoufag, J., Garruchet, S., Munch, E., Hauret, P., Malfreyt, P.
Published in Journal of chemical theory and computation (08.11.2022)
Published in Journal of chemical theory and computation (08.11.2022)
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Journal Article
Monte Carlo Simulations of the Pressure Dependence of the Water−Acid Gas Interfacial Tensions
Biscay, F, Ghoufi, A, Lachet, V, Malfreyt, P
Published in The journal of physical chemistry. B (29.10.2009)
Published in The journal of physical chemistry. B (29.10.2009)
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Journal Article
Test-area surface tension calculation of the graphene-methane interface: Fluctuations and commensurability
d'Oliveira, H D, Davoy, X, Arche, E, Malfreyt, P, Ghoufi, A
Published in The Journal of chemical physics (07.06.2017)
Published in The Journal of chemical physics (07.06.2017)
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Journal Article
Nanoconfined Electrolyte Solutions in Porous Hydrophilic Silica Membranes
Renou, R., Ghoufi, A., Szymczyk, A., Zhu, H., Neyt, J.-C., Malfreyt, P.
Published in Journal of physical chemistry. C (30.05.2013)
Published in Journal of physical chemistry. C (30.05.2013)
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