Alain Dequidt

Documents

Current affiliations

Researcher identifiers

alain-dequidt
0000-0003-1206-1911
IdRef : 13339980X

Publications

	Development of anisotropic force fields for homopolymer melts at the mesoscale Roland Leonel Nkepsu Mbitou , Alain Dequidt , Florent Goujon , Benoit Latour , Julien Devémy The Journal of Chemical Physics, 2024, 160 (6), pp.064910. ⟨10.1063/5.0187040⟩ Journal articles hal-04455468v1
	Toward a Better Understanding of the Poly(glycerol sebacate)–Water Interface Xavier Davoy , Julien Devémy , Sébastien Garruchet , Alain Dequidt , Patrice Hauret Langmuir, 2024, 40 (22), pp.11599-11609. ⟨10.1021/acs.langmuir.4c00797⟩ Journal articles hal-04600372v1
	Ml-Gle: A Machine Learning Enhanced Generalized Langevin Equation Framework for Transient Anomalous Diffusion in Polymer Dynamics Gian-Michele Cherchi , Alain Dequidt , Arnaud Guillin , Nicolas Martzel , Patrice Hauret Journal of Computational Physics, 2024, 514, pp.113210. ⟨10.1016/j.jcp.2024.113210⟩ Journal articles hal-04624890v1
	Molecular and Energetic Descriptions of the Plasma Protein Adsorption onto the PVC Surface: Implications for Biocompatibility in Medical Devices Amr H Saleh , Ghazal Borhan , Florent Goujon , Julien Devémy , Alain Dequidt ACS Omega, 2024, 9 (36), pp.38054-38065. ⟨10.1021/acsomega.4c05044⟩ Journal articles hal-04710499v1
	Propagator-Biased Chain Generation: Accurately Reverse Mapping Microphase-Separated Block Copolymers Mateus Garcia Rodolfo , Joël Tchoufag , Florent Goujon , Alain Dequidt , Patrice Hauret Macromolecules, 2024, ⟨10.1021/acs.macromol.4c01327⟩ Journal articles hal-04776888v1
	Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability Mehdi Sahihi , Pierre Fayon , Lionel Nauton , Florent Goujon , Julien Devémy Journal of Chemical Information and Modeling, 2024, 64 (10), pp.4112-4120. ⟨10.1021/acs.jcim.4c00079⟩ Journal articles hal-04600374v1
	Leaching of plasticizers from PVC medical devices: A molecular interpretation of experimental migration data Meriem Sahnoune Millot , Julien Devémy , Philip Chennell , Jérémy Pinguet , Alain Dequidt Journal of Molecular Liquids, 2024, 396, pp.123965. ⟨10.1016/j.molliq.2024.123965⟩ Journal articles hal-04406616v1
	Impact of the Force Field on the Calculation of Density and Surface Tension of Epoxy–Resins Mathilde Orselly , Cécile Richard , Julien Devémy , Agathe Bouvet-Marchand , Alain Dequidt Journal of Physical Chemistry B, 2023, 127 (11), pp.2617-2628. ⟨10.1021/acs.jpcb.2c09087⟩ Journal articles hal-04049687v1
	Energetic and Structural Characterizations of the PET–Water Interface as a Key Step in Understanding Its Depolymerization Pierre Fayon , Julien Devémy , Constance Emeriau-Viard , Karine Ballerat-Busserolles , Florent Goujon Journal of Physical Chemistry B, 2023, ⟨10.1021/acs.jpcb.3c00600⟩ Journal articles hal-04065631v1
	Molecular Simulations of Thermo-Mechanical Properties of Epoxy-Amine Resins Mathilde Orselly , Julien Devemy , Agathe Bouvet-Marchand , Alain Dequidt , Cédric Loubat ACS Omega, 2022, ⟨10.1021/acsomega.2c03071⟩ Journal articles hal-03759439v1
	Predicting Mechanical Constitutive Laws of Elastomers with Mesoscale Simulations Gérald Munoz , Alain Dequidt , Nicolas Martzel , Ronald Blaak , Armel Mbiakop-Ngassa Macromolecules, 2022, 55, 5 (1487-1494), pp.acs.macromol.1c02076. ⟨10.1021/acs.macromol.1c02076⟩ Journal articles hal-03579023v1
	Insulin Adsorption onto PE and PVC Tubings Nicolas Tokhadzé , Meriem Sahnoune , Julien Devémy , Alain Dequidt , Florent Goujon ACS Applied Bio Materials, 2022, ⟨10.1021/acsabm.2c00029⟩ Journal articles hal-03682647v1
	Investigation of the Complexation between 4-Aminoazobenzene and Cucurbit[7]uril through a Combined Spectroscopic, Nuclear Magnetic Resonance, and Molecular Simulation Studies Sabine Sarraute , Anne-Sophie Biesse-Martin , Julien Devemy , Alain Dequidt , Christine Bonal ACS Omega, 2022, 7, pp.25013 - 25021. ⟨10.1021/acsomega.2c00499⟩ Journal articles hal-03762887v1
	Molecular interactions at the metal-liquid interfaces Mathilde Orselly , Julien Devémy , Agathe Bouvet-Marchand , Alain Dequidt , Cedric Loubat The Journal of Chemical Physics, 2022, 156 (3), ⟨10.1063/5.0095872⟩ Journal articles hal-03759055v1
	Drug Interactions with Plasticized PVCs Meriem Sahnoune , Nicolas Tokhadzé , Sarah Ech Cherif El Kettani , Julien Devémy , Florent Goujon ACS Applied Polymer Materials, inPress, ⟨10.1021/acsapm.2c00532⟩ Journal articles hal-03682638v1
	Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale R. Nkepsu Mbitou , F. Goujon , A. Dequidt , B. Latour , J. Devémy Journal of Chemical Theory and Computation, 2022, 18 (11), pp.6940-6951. ⟨10.1021/acs.jctc.2c00945⟩ Journal articles hal-03943024v1
	Heliconical-fluctuation-induced compensation point in the diluted cholesteric phase of mixtures containing the flexible dimer CB7CB Patrick Oswald , Alain Dequidt Physical Review E , 2022, 105 (2), pp.024707. ⟨10.1103/PhysRevE.105.024707⟩ Journal articles hal-03616332v1
	Understanding and characterizing the drug sorption to PVC and PE materials Meriem Sahnoune , Nicolas Tokhadzé , Julien Devémy , Alain Dequidt , Florent Goujon ACS Applied Materials & Interfaces, 2021, 13, pp.18594-18603. ⟨10.1021/acsami.1c03284⟩ Journal articles hal-03229994v1
	Assessing the derivation of time parameters from branched polymer coarse-grain model Germain Clavier , Ronald Blaak , Alain Dequidt , Florent Goujon , Julien Devémy The Journal of Chemical Physics, 2021, 154 (12), pp.124901. ⟨10.1063/5.0039843⟩ Journal articles hal-03264450v1
	Heterogeneity Effects in Highly Cross-Linked Polymer Networks Gérald Munoz , Alain Dequidt , Nicolas Martzel , Ronald Blaak , Florent Goujon Polymers, 2021, 13 (5), pp.757. ⟨10.3390/polym13050757⟩ Journal articles hal-03159245v1
	Rheological properties of polymer chains at a copper oxide surface: Impact of the chain length, surface coverage, and grafted polymer shape José Solano Canchaya , Germain Clavier , Sébastien Garruchet , Benoit Latour , Nicolas Martzel Physical Review E , 2021, 104 (2), pp.024501. ⟨10.1103/PhysRevE.104.024501⟩ Journal articles hal-03542591v1
	Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulations Hemanth Nagaraj , Germain Clavier , Benoit Latour , Alain Dequidt , Julien Devémy The Journal of Chemical Physics, 2021, 154 (23), pp.234902. ⟨10.1063/5.0050562⟩ Journal articles hal-03264435v1
	Grain Shape Dynamics for Molecular Simulations at the Mesoscale Nicolas Martzel , Alain Dequidt , Julien Devémy , Ronald Blaak , Sébastien Garruchet Advanced Theory and Simulations, 2020, pp.2000124. ⟨10.1002/adts.202000124⟩ Journal articles hal-02918184v1
	Multi-scale modeling of the polymer–filler interaction Kevin Kempfer , Julien Devémy , Alain Dequidt , Marc Couty , Patrice Malfreyt Soft Matter, 2020, 16 (6), pp.1538-1547. ⟨10.1039/C9SM01959F⟩ Journal articles hal-02476474v1
	Backbone oriented anisotropic coarse grains for efficient simulations of polymers Florent Goujon , Nicolas Martzel , Alain Dequidt , Benoit Latour , Sébastien Garruchet The Journal of Chemical Physics, 2020, 153 (21), pp.214901. ⟨10.1063/5.0019945⟩ Journal articles hal-03109519v1
	Realistic Coarse-Grain Model of cis -1,4-Polybutadiene: From Chemistry to Rheology K. Kempfer , J. Devémy , Alain Dequidt , M. Couty , P. Malfreyt Macromolecules, 2019, 52 (7), pp.2736-2747. ⟨10.1021/acs.macromol.8b02750⟩ Journal articles hal-02168489v1
	Development of a coarse-grain model for the description of the metal oxide-polymer interface from a bottom-up approach José Solano Canchaya , Alain Dequidt , Sébastien Garruchet , Benoit Latour , Nicolas Martzel The Journal of Chemical Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩ Journal articles hal-02265700v1
	Development of Coarse-Grained Models for Polymers by Trajectory Matching Kévin Kempfer , Julien Devemy , Alain Dequidt , Marc Couty , Patrice Malfreyt ACS Omega, 2019, 4 (3), pp.5955-5967. ⟨10.1021/acsomega.9b00144⟩ Journal articles hal-02168492v1
	Lehmann rotation of cholesteric droplets driven by Marangoni convection Patrick Oswald , Jordi Ignés-Mullol , Alain Dequidt Soft Matter, 2019, 15 (12), pp.2591-2604. ⟨10.1039/C8SM02574F⟩ Journal articles hal-02168494v1
	Atomistic Descriptions of the cis -1,4-Polybutadiene/Silica Interfaces K. Kempfer , J. Devémy , Alain Dequidt , M. Couty , P. Malfreyt ACS Applied Polymer Materials, 2019, 1 (5), pp.969-981. ⟨10.1021/acsapm.8b00274⟩ Journal articles hal-02168484v1
	Lehmann effect in nematic and cholesteric liquid crystals: a review P. Oswald , A. Dequidt , G. Poy Liquid Crystals Reviews, 2019, 7 (2), pp.142-166. ⟨10.1080/21680396.2019.1671244⟩ Journal articles hal-02319991v1
	How Does the Surface Tension Depend on the Surface Area with Coarse-Grained Models? Florent Goujon , Alain Dequidt , Aziz Ghoufi , Patrice Malfreyt Journal of Chemical Theory and Computation, 2018, 14 (5), pp.2644 - 2651. ⟨10.1021/acs.jctc.8b00158⟩ Journal articles hal-01790498v1
	How Does the Addition of a Third Ion Affect the Molecular Interactions and the Thermodynamic Properties of Acetate-Based Ionic Liquids? I. Otero , L. F. Lepre , A. Dequidt , P. Husson , M. F. Costa Gomes Journal of Physical Chemistry B, 2017, 121 (41), pp.9725 - 9736. ⟨10.1021/acs.jpcb.7b06452⟩ Journal articles hal-01647870v1
	Role of dynamical heterogeneities on the mechanical response of confined polymer R.J. Masurel , P. Gelineau , Sabine Cantournet , A. Dequidt , D.R. Long Physical Review Letters, 2017, 118 (4), pp.047801. ⟨10.1103/PhysRevLett.118.047801⟩ Journal articles hal-01498220v1
	Molecular understanding of pyridinium ionic liquids as absorbents with water as refrigerant for use in heat pumps Pablo Sánchez , Mounir Traïkia , Alain Dequidt , Agilio A. H. Padua , Josefa García AIChE Journal, 2017, 63 (8), pp.3523 - 3531. ⟨10.1002/aic.15690⟩ Journal articles hal-01656063v1
	ForConX: A forcefield conversion tool based on XML Volker Lesch , Diddo Diddens , Carlos E. S. Bernardes , Benjamin Golub , Alain Dequidt Journal of Computational Chemistry, 2017, 38 (9), pp.629 - 638. ⟨10.1002/jcc.24708⟩ Journal articles hal-01647926v1
	Acceleration and Homogenization of the Dynamics during Plastic Deformation Luca Conca , Alain Dequidt , Paul Sotta , Didier Long Macromolecules, 2017, 50 (23), pp.9456-9472. ⟨10.1021/acs.macromol.7b01391⟩ Journal articles hal-02191773v1
	Generalized drift velocity of a cholesteric texture in a temperature gradient. Alain Dequidt , Guilhem Poy , Patrick Oswald Soft Matter, 2016, 12, pp.7529-7538. ⟨10.1039/C6SM01359G⟩ Journal articles hal-01483583v1
	Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator. Alain Dequidt , Julien Devémy , Agílio A. H. Pádua Journal of Chemical Information and Modeling, 2016, 56, pp.260-268. ⟨10.1021/acs.jcim.5b00612⟩ Journal articles hal-01334815v1
	Development of DPD coarse-grained models: from bulk to interfacial properties. José G. Solano Canchaya , Alain Dequidt , Florent Goujon , Patrice Malfreyt The Journal of Chemical Physics, 2016, 145, pp.054107. ⟨10.1063/1.4960114⟩ Journal articles hal-01483579v1
	Heterogeneous Dynamics and Polymer Plasticity Alain Dequidt , Luca Conca , Jean-Yves Delannoy , Paul Sotta , François Lequeux Macromolecules, 2016, 49 (23), pp.9148-9162. ⟨10.1021/acs.macromol.6b01375⟩ Journal articles hal-02191795v1
	Lehmann rotation of twisted bipolar cholesteric droplets: role of Leslie, Akopyan and Zel’dovich thermomechanical coupling terms of nematodynamics P. Oswald , G. Poy , A. Dequidt Liquid Crystals, 2016, 44 (6), pp.969 - 988. ⟨10.1080/02678292.2016.1255363⟩ Journal articles hal-01648013v1
	Role of Dynamical Heterogeneities on the Viscoelastic Spectrum of Polymers: A Stochastic Continuum Mechanics Model Robin J. Masurel , Sabine Cantournet , Alain Dequidt , Didier R. Long , Hélène Montes Macromolecules, 2015, 48 (18), pp.6690-6702. ⟨10.1021/acs.macromol.5b01138⟩ Journal articles hal-01515628v1
	Bayesian parametrization of coarse-grain dissipative dynamics models. Alain Dequidt , Jose G. Solano Canchaya The Journal of Chemical Physics, 2015, 143, pp.084122. ⟨10.1063/1.4929557⟩ Journal articles hal-01212243v1
	Confined KCl solution between two mica surfaces: equilibrium and frictional properties. Alain Dequidt , Julien Devémy , Patrice Malfreyt Journal of Physical Chemistry C, 2015, 119, pp.22080-22085. ⟨10.1021/acs.jpcc.5b06880⟩ Journal articles hal-01216154v1
	Solvation of a cellulose microfibril in imidazolium acetate ionic liquids: Effect of a cosolvent. Sadiye Velioglu , Xun Yao , Julien Devémy , M. Goktug Ahunbay , S. Birgul Tantekin-Ersolmaz Journal of Physical Chemistry B, 2014, 118, pp.14860-14869. ⟨10.1021/jp508113a⟩ Journal articles hal-01179925v1
	Yield torque sliding anchoring in nematic liquid crystals Patrick Oswald , Alain Dequidt Europhyics Letters, 2013, 103, pp.26002. ⟨10.1209/0295-5075/103/26002⟩ Journal articles hal-00914129v1
	Alloy hardening of a smectic A liquid crystal doped with gold nanoparticles Patrick Oswald , Jonathan Milette , Sabrina Relaix , Linda Reven , Alain Dequidt EPL - Europhysics Letters, 2013, 103, pp.46004. ⟨10.1209/0295-5075/103/46004⟩ Journal articles hal-00914132v1
	Mechanical properties of thin confined polymer films close to the glass transition in the linear regime of deformation: theory and simulations. Alain Dequidt , Didier R. Long , Paul Sotta , Olivier Sanséau European Physical Journal E: Soft matter and biological physics, 2012, 35 (7), pp.61. ⟨10.1140/epje/i2012-12061-6⟩ Journal articles hal-00767673v1
	Reply to the comment by H. Pleiner and H.R. Brand Patrick Oswald , Alain Dequidt EPL - Europhysics Letters, 2010, 89 (2), pp.26004 Journal articles ensl-00507799v1
	Lehmann effect in chiral liquid crystals and Langmuir monolayers: an experimental survey Patrick Oswald , Alain Dequidt Liquid Crystals, 2009, 36 (10-11), pp.1071-1084 Journal articles ensl-00508347v1
	Direct measurement of the thermomechanical Lehmann coefficient in a compensated cholesteric liquid crystal Patrick Oswald , Alain Dequidt EPL - Europhysics Letters, 2008, 83 (1), pp.16005. ⟨10.1209/0295-5075/83/16005⟩ Journal articles ensl-00351719v1
	Thermomechanically driven spirals in a cholesteric liquid crystal Patrick Oswald , Alain Dequidt Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2008, 77 (5), pp.051706. ⟨10.1103/PhysRevE.77.051706⟩ Journal articles ensl-00351717v1
	Sliding planar anchoring and viscous surface torque in a cholesteric liquid crystal Patrick Oswald , Alain Dequidt , Andrzej Zywocinski Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2008, 77 (6), pp.061703. ⟨10.1103/PhysRevE.77.061703⟩ Journal articles ensl-00351712v1
	Lehmann effect in a compensated cholesteric liquid crystal: Experimental evidence with fixed and gliding boundary conditions Alain Dequidt , Andrzej Zywocinski , Patrick Oswald European Physical Journal E: Soft matter and biological physics, 2008, 25 (4), pp.277-289. ⟨10.1140/epje/i2007-10290-4⟩ Journal articles ensl-00272491v1
	Measurement of the continuous Lehmann rotation of cholesteric droplets subjected to a temperature gradient Patrick Oswald , Alain Dequidt Physical Review Letters, 2008, 100 (21), pp.217802. ⟨10.1103/PhysRevLett.100.217802⟩ Journal articles ensl-00351675v1
	Lehmann effect in compensated cholesteric liquid crystals Alain Dequidt , Patrick Oswald EPL - Europhysics Letters, 2007, 80 (2), 26001 (5 p.). ⟨10.1209/0295-5075/80/26001⟩ Journal articles ensl-00202319v1
	Does the electric Lehmann effect exist in cholesteric liquid crystals? Alain Dequidt , Patrick Oswald European Physical Journal E: Soft matter and biological physics, 2007, 24 (2), pp.157-166. ⟨10.1140/epje/i2007-10226-0⟩ Journal articles ensl-00202320v1
	Zigzag instability of a chi disclination line in a cholesteric liquid crystal Alain Dequidt , Patrick Oswald European Physical Journal E: Soft matter and biological physics, 2006, 19 (4), pp.489-500 Journal articles ensl-00182727v1

	Structure-properties relationship of poly(glycerol sebacate). X. Davoy , S. Garruchet , A. Dequidt , P. Malfreyt Congrès SCF 2023, Jun 2023, Nantes, France Conference papers hal-04488630v1
	Characterization of the adsorption process by molecular simulation. J. Devemy , A. Dequidt , P. Malfreyt Congrès SCF 2023, Jun 2023, Nantes, France Conference papers hal-04488588v1
	ML-Enhanced Generalized Langevin Equation for Transient Anomalous Diffusion in Polymer Dynamics Gian-Michele Cherchi , Alain Dequidt , Arnaud Guillin , Vincent Barra , Nicolas Martzel NeurIPS 2023 Workshop: Machine Learning and the Physical Sciences, Dec 2023, NewOrleans, United States Conference papers hal-04274138v1
	Interactions between injectable drugs and polymers of infusion medical devices: Experiment versus molecular simulation. M. Sahnoune , N. Tokhadze , J. Devemy , P. Chennell , A. Dequidt Journées BIOMAT, Biomaterials and Interface Technologies, May 2023, Bazas, France Conference papers hal-04506894v1
	Comparison of thermo-mechanical properties of epoxy-amines and polyurethanes resins: experiments versus molecular simulations. M. Orselly , J. Devemy , A. Bouvet-Marchand , A. Dequidt , P. Malfreyt EPF2022, Jun 2022, Prague (CZ), Czech Republic Conference papers hal-04062334v1
	Natural working fluids for absorption refrigeration. M. Kerleaux , L. Rodier , J.-M. Andanson , A. Dequidt , Y. Coulier 15th IIR-Gustav Lorentzen Conference on Natural Refrigerants, Jun 2022, Trondheim, Norway Conference papers hal-04062327v1
	Towards the mesoscale modelling of polymer-metal interfaces. M. Orselly , A. Bouvet-Marchand , A. Dequidt , J. Devemy , C. Loubat MSE 2022 Materials Science and Engineering, Sep 2022, Darmstadt, Germany Conference papers hal-04066102v1
	Thermo-mechanical properties of various epoxy-amines resins: insights from molecular simulations. M. Orselly , J. Devemy , A. Dequidt , A. Bouvet-Marchand , P. Malfreyt Rencontres de Chimie Physique, Oct 2021, Sète, France Conference papers hal-03574586v1
	A multiscale modelling approach for the design of new polymer materials. A. Dequidt , S. Garruchet , B. Latour , N. Martzel , R. Blaak ESCAPE30, 30th European Symposium on Computer Aided Process Engineering, Aug 2020, Milan, Italy Conference papers hal-03127819v1
	Mechanical Properties of Thin Confined Polymer Films Close to the Glass Transition in the Linear Regime of Deformation: Theory and Simulations Alain Dequidt , Didier R. Long , Paul Sotta , Olivier Sanséau Macromolecules in Constrained Environments, Mar 2013, Les Houches, France Conference papers hal-00914139v1
	Mechanical properties of thin confined polymer films close to the glass transition in the linear regime of deformation: theory and simulations Alain Dequidt , Didier R. Long , Paul Sotta , Olivier Sanséau Broadband Dielectric Spectroscopy, Sep 2012, Leipzig, Germany Conference papers hal-00767680v1

	Interactions entre médicaments injectables et polymères des dispositifs médiaux de perfusion : expérience versus simulation moléculaire. M. Sahnoune , N. Tokhadze , J. Devemy , P. Chennell , A. Dequidt Biomatériaux et Technologies d’Interface (BIOMAT), May 2023, Bazas, France Conference poster hal-04560209v1
	Discovering long-term polymer dynamics with generative deep neural networks. G. M. Cherchi , A. Dequidt , P. Hauret , N. Martzel , V. Barra Machine Learning applied to Multiscale Molecular Simulations Workshop, May 2023, Heidelberg, Germany Conference poster hal-04560215v1
	Discovering long-term polymer dynamics with generative deep neural networks. G. M. Cherchi , A. Dequidt , P. Hauret , N. Martzel , V. Barra Summer School on Quantum Machine Learning, Jun 2023, Udine, Italy Conference poster hal-04560257v1
	Thermodynamic study of working fluid pairs for an absorption refrigeration process. A. Hajlaoui , J.-M. Andanson , A. Dequidt , L. Rodier , Y. Coulier Journée de Printemps de la Société Chimique de France, Section Rhône-Alpes, Jun 2023, Lyon, France Conference poster hal-04560251v1
	Generative models of polymer dynamics. G. M. Cherchi , A. Dequidt , P. Hauret , N. Martzel , V. Barra CECAM Workshop Coarse-Graining, Nov 2022, Lyon, France Conference poster hal-04402135v1
	Development of polymer models by statistical trajectory matching for coarse grain simulations. A. Dequidt Liquid Matter Conference (virtual), Jul 2021, Prague, Czech Republic Conference poster hal-03579627v1
	Understanding and characterizing the drug sorption to Polyvinyl chloride and Polyethylene materials. M. Sahnoune , N. Tokhadze , P. Chennell , J. Devemy , A. Dequidt 31st Annual Conference of the European Society for Biomaterials (ESB 2021), Virtual conference, Sep 2021, Porto, Portugal Conference poster hal-03482756v1
	Toward a multi-scale approach in modelling macromolecular properties. G. Clavier , A. Dequidt , B. Latour , E. Munch , N. Seeboth Computational Molecular Science, CMS 2019, Mar 2019, Warwick, United Kingdom Conference poster hal-02557158v1
	Toward a multiscale description of polymer-metal oxide interface. J. Solano , A. Dequidt , S. Garruchet , F. Goujon , R. Blaak Modelling Polymers: From methods to applications, Sep 2019, Leverkusen, Germany Conference poster hal-02557252v1
	Modelling of elastomer networks under high deformation. G. Munoz , A. Dequidt , N. Martzel , R. Blaak , E. Munch CCP5 Summer school 2019, Jul 2019, Durham, United Kingdom Conference poster hal-02557237v1
	Development of coarse-grained models for polymer materials. R. Blaak , K. Kempfer , J. G. Solanao Canchaya , H. Nagaraj , G. Munoz International Soft Matter Conference, Jun 2019, Edimbourg, United Kingdom Conference poster hal-02557224v1

	Les effets thermomécanqiues dans les cristaux liquides Patrick Oswald , Alain Dequidt , Guilhem Poy Pawel Pieranski et Maria Helena Godinho. Cristaux liquides nouvelles perspectives, ISTE Editions Ltd, 2022, Physique de la matière molle Cristaux liquides lyotropes et thermotropes, 978-1-78948-040-5. ⟨10.51926/ISTE.9040.ch3⟩ Book sections hal-03795839v1
	Thermomechanical effects in liquid crystals Patrick Oswald , Alain Dequidt , Guilhem Poy ISTE-Wiley. Liquid Crystals New Perspectives, 2021, 9781789450408. ⟨10.1002/9781119850809.ch3⟩ Book sections hal-02990190v1
	A Multiscale Modelling Approach for the Design of new Polymer Materials Alain Dequidt , Sébastien Garruchet , Benoit Latour , Nicolas Martzel , Ronald Blaak 30th European Symposium on Computer Aided Process Engineering, pp.25-30, 2020, ⟨10.1016/B978-0-12-823377-1.50005-7⟩ Book sections hal-03109551v1
	Mechanical Properties of Polymers and Nano-Composites Close to the Glass Transition. A. Dequidt , D.R. Long , S. Merabia , P. Sotta C.B. Roth. Polymer Glasses, Taylor & Francis Group, pp.301-354, 2016 Book sections hal-01489479v1

	Modélisation multi-échelles de matériaux liquides Alain Dequidt Chimie-Physique [physics.chem-ph]. École Doctorale des Sciences Fondamentales de l'Université Clermont Auvergne, 2019 Accreditation to supervise research tel-02392894v1

	Natural Working Fluids for Absorption Refrigeration Marianne Kerleaux , Laurence Rodier , Jean-Michel Andanson , Alain Dequidt , Yohann Coulier 15th IIR-Gustav Lorentzen Conference on Natural Refrigerants(GL2022)., Jun 2022, Trondheim, Norway. 2022, ⟨10.18462/iir.gl2022.0223⟩ Proceedings hal-03795433v1

	Effet Lehmann dans les cristaux liquides cholestériques Alain Dequidt Dynamique des Fluides [physics.flu-dyn]. Ecole normale supérieure de lyon - ENS LYON, 2008. Français. ⟨NNT : ⟩ Theses tel-00376381v1

Alain Dequidt

Publications

Development of anisotropic force fields for homopolymer melts at the mesoscale

Toward a Better Understanding of the Poly(glycerol sebacate)–Water Interface

Ml-Gle: A Machine Learning Enhanced Generalized Langevin Equation Framework for Transient Anomalous Diffusion in Polymer Dynamics

Molecular and Energetic Descriptions of the Plasma Protein Adsorption onto the PVC Surface: Implications for Biocompatibility in Medical Devices

Propagator-Biased Chain Generation: Accurately Reverse Mapping Microphase-Separated Block Copolymers

Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability

Leaching of plasticizers from PVC medical devices: A molecular interpretation of experimental migration data

Impact of the Force Field on the Calculation of Density and Surface Tension of Epoxy–Resins

Energetic and Structural Characterizations of the PET–Water Interface as a Key Step in Understanding Its Depolymerization

Molecular Simulations of Thermo-Mechanical Properties of Epoxy-Amine Resins

Predicting Mechanical Constitutive Laws of Elastomers with Mesoscale Simulations

Insulin Adsorption onto PE and PVC Tubings

Investigation of the Complexation between 4-Aminoazobenzene and Cucurbit[7]uril through a Combined Spectroscopic, Nuclear Magnetic Resonance, and Molecular Simulation Studies

Molecular interactions at the metal-liquid interfaces

Drug Interactions with Plasticized PVCs

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

Heliconical-fluctuation-induced compensation point in the diluted cholesteric phase of mixtures containing the flexible dimer CB7CB

Understanding and characterizing the drug sorption to PVC and PE materials

Assessing the derivation of time parameters from branched polymer coarse-grain model

Heterogeneity Effects in Highly Cross-Linked Polymer Networks

Rheological properties of polymer chains at a copper oxide surface: Impact of the chain length, surface coverage, and grafted polymer shape

Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulations

Grain Shape Dynamics for Molecular Simulations at the Mesoscale

Multi-scale modeling of the polymer–filler interaction

Backbone oriented anisotropic coarse grains for efficient simulations of polymers

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

Development of a coarse-grain model for the description of the metal oxide-polymer interface from a bottom-up approach

Development of Coarse-Grained Models for Polymers by Trajectory Matching

Lehmann rotation of cholesteric droplets driven by Marangoni convection

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

Lehmann effect in nematic and cholesteric liquid crystals: a review

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

How Does the Addition of a Third Ion Affect the Molecular Interactions and the Thermodynamic Properties of Acetate-Based Ionic Liquids?

Role of dynamical heterogeneities on the mechanical response of confined polymer

Molecular understanding of pyridinium ionic liquids as absorbents with water as refrigerant for use in heat pumps

ForConX: A forcefield conversion tool based on XML

Acceleration and Homogenization of the Dynamics during Plastic Deformation

Generalized drift velocity of a cholesteric texture in a temperature gradient.

Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator.

Development of DPD coarse-grained models: from bulk to interfacial properties.

Heterogeneous Dynamics and Polymer Plasticity

Lehmann rotation of twisted bipolar cholesteric droplets: role of Leslie, Akopyan and Zel’dovich thermomechanical coupling terms of nematodynamics

Role of Dynamical Heterogeneities on the Viscoelastic Spectrum of Polymers: A Stochastic Continuum Mechanics Model

Bayesian parametrization of coarse-grain dissipative dynamics models.

Confined KCl solution between two mica surfaces: equilibrium and frictional properties.

Solvation of a cellulose microfibril in imidazolium acetate ionic liquids: Effect of a cosolvent.

Yield torque sliding anchoring in nematic liquid crystals

Alloy hardening of a smectic A liquid crystal doped with gold nanoparticles

Mechanical properties of thin confined polymer films close to the glass transition in the linear regime of deformation: theory and simulations.

Reply to the comment by H. Pleiner and H.R. Brand

Lehmann effect in chiral liquid crystals and Langmuir monolayers: an experimental survey

Direct measurement of the thermomechanical Lehmann coefficient in a compensated cholesteric liquid crystal

Thermomechanically driven spirals in a cholesteric liquid crystal

Sliding planar anchoring and viscous surface torque in a cholesteric liquid crystal

Lehmann effect in a compensated cholesteric liquid crystal: Experimental evidence with fixed and gliding boundary conditions

Measurement of the continuous Lehmann rotation of cholesteric droplets subjected to a temperature gradient

Lehmann effect in compensated cholesteric liquid crystals

Does the electric Lehmann effect exist in cholesteric liquid crystals?

Zigzag instability of a chi disclination line in a cholesteric liquid crystal

Structure-properties relationship of poly(glycerol sebacate).

Characterization of the adsorption process by molecular simulation.

ML-Enhanced Generalized Langevin Equation for Transient Anomalous Diffusion in Polymer Dynamics

Interactions between injectable drugs and polymers of infusion medical devices: Experiment versus molecular simulation.

Comparison of thermo-mechanical properties of epoxy-amines and polyurethanes resins: experiments versus molecular simulations.

Natural working fluids for absorption refrigeration.

Towards the mesoscale modelling of polymer-metal interfaces.

Thermo-mechanical properties of various epoxy-amines resins: insights from molecular simulations.

A multiscale modelling approach for the design of new polymer materials.

Mechanical Properties of Thin Confined Polymer Films Close to the Glass Transition in the Linear Regime of Deformation: Theory and Simulations

Mechanical properties of thin confined polymer films close to the glass transition in the linear regime of deformation: theory and simulations

Interactions entre médicaments injectables et polymères des dispositifs médiaux de perfusion : expérience versus simulation moléculaire.

Discovering long-term polymer dynamics with generative deep neural networks.

Discovering long-term polymer dynamics with generative deep neural networks.

Thermodynamic study of working fluid pairs for an absorption refrigeration process.

Generative models of polymer dynamics.

Development of polymer models by statistical trajectory matching for coarse grain simulations.

Understanding and characterizing the drug sorption to Polyvinyl chloride and Polyethylene materials.

Toward a multi-scale approach in modelling macromolecular properties.