Patrice Malfreyt (P Malfreyt)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 29

Top Topics

Carbon Nanotubes

Molecular Dynamics

Top Venues

The journal of physical chemistry. B

The Journal of chemical physics

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Amr H Saleh, Ghazal Borhan, Florent Goujon, Julien Devémy, Alain Dequidt, Patrice Malfreyt, Mehdi Sahihi
Molecular and Energetic Descriptions of the Plasma Protein Adsorption onto the PVC Surface: Implications for Biocompatibility in Medical Devices. ACS omega 9 (36) (2024)
Jean-Baptiste Cuvellier, Jean-Michel Andanson, Karine Ballerat-Busserolles, Hyazann Hulin, Franck Artzner, Patrice Malfreyt, Aziz Ghoufi
Importance of the Electrostatic Correlations in Surface Tension of Hydrated Reline Deep Eutectic Solvent from Combined Experiments and Molecular Dynamics Simulations. The journal of physical chemistry. B 128 (16) (2024)
R L Nkepsu Mbitou, Florent Goujon, Alain Dequidt, B Latour, J Devémy, N Martzel, P Hauret, Patrice Malfreyt
Autohesion Mechanisms at Interfaces Between Random Copolymer Melts: Mesoscopic Simulations with Realistic Coarse-Grained Models. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Mehdi Sahihi, Pierre Fayon, Lionel Nauton, Florent Goujon, Julien Devémy, Alain Dequidt, Patrice Hauret, Patrice Malfreyt
Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability. Journal of chemical information and modeling (2024)
Xavier Davoy, Julien Devémy, Sébastien Garruchet, Alain Dequidt, Patrice Hauret, Patrice Malfreyt
Toward a Better Understanding of the Poly(glycerol sebacate)-Water Interface. Langmuir : the ACS journal of surfaces and colloids 40 (22) (2024)
Jean-Baptiste Cuvellier, Jean-Michel Andanson, Karine Ballerat-Busserolles, Hyazann Hulin, Franck Artzner, Patrice Malfreyt, Aziz Ghoufi
Importance of the Electrostatic Correlations in Surface Tension of Hydrated Reline Deep Eutectic Solvent from Combined Experiments and Molecular Dynamics Simulations. The journal of physical chemistry. B (2024)
R L Nkepsu Mbitou, Florent Goujon, Alain Dequidt, B Latour, J Devémy, N Martzel, P Hauret, Patrice Malfreyt
Autohesion Mechanisms at Interfaces Between Random Copolymer Melts: Mesoscopic Simulations with Realistic Coarse-Grained Models. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (16) (2024)
Mehdi Sahihi, Pierre Fayon, Lionel Nauton, Florent Goujon, Julien Devémy, Alain Dequidt, Patrice Hauret, Patrice Malfreyt
Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability. Journal of chemical information and modeling 64 (10) (2024)
Xavier Davoy, Julien Devémy, Sébastien Garruchet, Alain Dequidt, Patrice Hauret, Patrice Malfreyt
Toward a Better Understanding of the Poly(glycerol sebacate)-Water Interface. Langmuir : the ACS journal of surfaces and colloids (2024)
Mehdi Sahihi, Pierre Fayon, Lionel Nauton, Florent Goujon, Julien Devémy, Alain Dequidt, Patrice Hauret, Patrice Malfreyt
Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability. Journal of chemical information and modeling 64 (10) (2024)
Cyril Le Fur, Florent Goujon, Pascal Wong Wah Chung, Patrice Malfreyt, Mohamed Sarakha
Photodegradation of Triclosan on the Kaolinite Surface: Kinetic, Mechanistic, and Molecular Modeling Approach. ACS omega 8 (42) (2023)
Pierre Fayon, Julien Devémy, Constance Emeriau-Viard, Karine Ballerat-Busserolles, Florent Goujon, Alain Dequidt, Alain Marty, Patrice Hauret, Patrice Malfreyt
Energetic and Structural Characterizations of the PET-Water Interface as a Key Step in Understanding Its Depolymerization. The journal of physical chemistry. B (2023)
Mathilde Orselly, Cécile Richard, Julien Devémy, Agathe Bouvet-Marchand, Alain Dequidt, Cédric Loubat, Patrice Malfreyt
Impact of the Force Field on the Calculation of Density and Surface Tension of Epoxy-Resins. The journal of physical chemistry. B 127 (11) (2023)
Mathilde Orselly, Cécile Richard, Julien Devémy, Agathe Bouvet-Marchand, Alain Dequidt, Cédric Loubat, Patrice Malfreyt
Impact of the Force Field on the Calculation of Density and Surface Tension of Epoxy-Resins. The journal of physical chemistry. B (2023)
Julien Devémy, Alain Dequidt, Patrice Malfreyt
A Consistent Thermodynamic Characterization of the Adsorption Process through the Calculation of Free Energy Contributions. The journal of physical chemistry. B (2023)
Sabine Sarraute, Anne-Sophie Biesse-Martin, Julien Devemy, Alain Dequidt, Christine Bonal, Patrice Malfreyt
Investigation of the Complexation between 4-Aminoazobenzene and Cucurbit[7]uril through a Combined Spectroscopic, Nuclear Magnetic Resonance, and Molecular Simulation Studies. ACS omega 7 (29) (2022)
Mathilde Orselly, Julien Devemy, Agathe Bouvet-Marchand, Alain Dequidt, Cédric Loubat, Patrice Malfreyt
Molecular Simulations of Thermomechanical Properties of Epoxy-Amine Resins. ACS omega 7 (34) (2022)
R L Nkepsu Mbitou, Florent Goujon, Alain Dequidt, B Latour, J Devémy, Ronald Blaak, N Martzel, C Emeriau-Viard, J Tchoufag, S Garruchet, E Munch, P Hauret, Patrice Malfreyt
Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale. Journal of chemical theory and computation 18 (11) (2022)
Nicolas Tokhadzé, Meriem Sahnoune, Julien Devémy, Alain Dequidt, Florent Goujon, Philip Chennell, Valérie Sautou, Patrice Malfreyt
Insulin Adsorption onto PE and PVC Tubings. ACS applied bio materials 5 (6) (2022)
Hemanth Nagaraj, Germain Clavier, Benoit Latour, Alain Dequidt, Julien Devémy, Sébastien Garruchet, Florent Goujon, Nicolas Martzel, Ronald Blaak, Étienne Munch, Patrice Malfreyt
Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulations. The Journal of chemical physics 154 (23) (2021)
Gérald Munoz, Alain Dequidt, Nicolas Martzel, Ronald Blaak, Florent Goujon, Julien Devémy, Sébastien Garruchet, Benoit Latour, Etienne Munch, Patrice Malfreyt
Heterogeneity Effects in Highly Cross-Linked Polymer Networks. Polymers 13 (5) (2021)
Simona Varriale, Astrid E Delorme, Jean-Michel Andanson, Julien Devemy, Patrice Malfreyt, Vincent Verney, Cinzia Pezzella
Enhancing the Thermostability of Engineered Laccases in Aqueous Betaine-Based Natural Deep Eutectic Solvents. ACS sustainable chemistry & engineering 10 (1) (2021)
Meriem Sahnoune, Nicolas Tokhadzé, Julien Devémy, Alain Dequidt, Florent Goujon, Philip Chennell, Valérie Sautou, Patrice Malfreyt
Understanding and Characterizing the Drug Sorption to PVC and PE Materials. ACS applied materials & interfaces 13 (16) (2021)
T Dreher, Nicolas Pineau, E Bourasseau, Patrice Malfreyt, L Soulard, Claire A Lemarchand
Anisotropic surface stresses of a solid/fluid interface: Molecular dynamics calculations for the copper/methane interface. The Journal of chemical physics 151 (24) (2020)
Florent Goujon, Nicolas Martzel, Alain Dequidt, Benoit Latour, Sébastien Garruchet, Julien Devémy, Ronald Blaak, Étienne Munch, Patrice Malfreyt
Backbone oriented anisotropic coarse grains for efficient simulations of polymers. The Journal of chemical physics 153 (21) (2020)
Florent Goujon, Patrice Malfreyt, D J Tildesley
The pair distribution function in the planar gas-liquid interface: Application to the calculation of the surface tension. The Journal of chemical physics 151 (20) (2019)
Thibaud Dreher, Claire A Lemarchand, Nicolas Pineau, Emeric Bourasseau, Aziz Ghoufi, Patrice Malfreyt
Calculation of the interfacial tension of the graphene-water interaction by molecular simulations. The Journal of chemical physics 150 (1) (2019)
Ludovic Garnier, Sabine Sarraute, Yael Israëli, Christine Bonal, Patrice Malfreyt
Associations of Water-Soluble Macrocyclic Hosts with 4-Aminoazobenzene: Impact of pH. The journal of physical chemistry. B 122 (50) (2018)
Florent Goujon, Alain Dequidt, Aziz Ghoufi, Patrice Malfreyt
How Does the Surface Tension Depend on the Surface Area with Coarse-Grained Models? Journal of chemical theory and computation 14 (5) (2018)