Sur ce site

Sur le Web du CNRS


Revenir à la page précédente

Publications de Benjamin Rotenberg

par Benjamin Rotenberg - 1er janvier 2019

Revenir à Benjamin Rotenberg


  1. Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces
    P. Loche, L. Scalfi, M.A. Amu, O. Schullian, D.J. Bonthuis, B. Rotenberg and R.R Netz, J. Chem. Phys., 157, 094707 (2022)
  2. Likelihood-based non-Markovian models from molecular dynamics
    H. Vroylandt, L. Goudenège, P. Monmarché, F. Pietrucci and B. Rotenberg, PNAS, 119, e2117586119 (2022)
  3. Microscopic Simulations of Electrochemical Double-Layer Capacitors
    G. Jeanmairet, B. Rotenberg, M. Salanne, Chem. Rev., 122, 10860 (2022)
  4. Chemi-sorbed versus physi-sorbed surface charge and its impact on electrokinetic transport : carbon versus boron-nitride surface
    E. Mangaud, M.-L. Bocquet, L. Bocquet, B. Rotenberg, J. Chem. Phys., 156, 044703 (2022)
  5. Microscopic origin of the effect of substrate metallicity on interfacial free energies
    L. Scalfi, B. Rotenberg, PNAS, 118 e2108769118 (2021)
  6. A molecular perspective on induced charges on a metallic surface
    G. Pireddu, L. Scalfi, B. Rotenberg, J. Chem. Phys., 155, 204705 (2021)
  7. NMR Relaxation Rates of Quadrupolar Aqueous Ions from Classical Molecular Dynamics Using Force-Field Specific Sternheimer Factors
    I. Chubak, L. Scalfi, A. Carof, B. Rotenberg, J. Chem. Theory Comput., 17, 6006 (2021)
  8. Lattice Boltzmann method for adsorption under stationary and transient conditions : Interplay between transport and adsorption kinetics in porous media
    Z. Zaafouri, G. Batôt, C. Nieto-Draghi, B. Rotenberg, D. Bauer, B. Coasne
    Phys. Rev. E, 104, 015314 (2021)
  9. Effect of the metallicity on the capacitance of gold — aqueous sodium chloride interfaces
    A. Serva, L. Scalfi, B. Rotenberg, M. Salanne, J. Chem. Phys., 155, 044703 (2021)
  10. On the molecular correlations that result in field-dependent conductivities in electrolyte solutions
    D. Lesnikci, C.Y. Gao, D.T. Limmer, B. Rotenberg, J. Chem. Phys., 155, 014507 (2021)
  11. Reduced variance analysis of molecular dynamics simulations by linear combination of estimators
    S.W. Coles, E. Mangaud, D. Frenkel, B. Rotenberg, J. Chem. Phys., 154, 191101 (2021)
  12. Molecular Simulation of Electrode-Solution Interfaces
    L. Scalfi, M. Salanne, B. Rotenberg, Ann. Rev. Phys. Chem., 72, 189 (2021)
  13. On the Gibbs-Thomson equation for the crystallization of confined fluids
    L. Scalfi, B. Coasne, B. Rotenberg, J. Chem. Phys., 154, 114711 (2021)
  14. Printed Dielectrophoretic Electrode‐Based Continuous Flow Microfluidic Systems for Particles 3D‐Trapping
    L. Challier, J. Lemarchand, C. Deanno, C. Jauzein, G. Mattana,
    G. Mériguet, B. Rotenberg, V. Noël, Part. Part. Syst. Charact., 38, 2000235 (2021)
  15. A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations
    L. Scalfi, T. Dufils, K.G. Reeves, B. Rotenberg, M. Salanne, J. Chem. Phys., 153, 174704 (2020)
  16. Use the force ! Reduced variance estimators for densities, radial
    distribution functions and local mobilities in molecular simulations

    B. Rotenberg, J. Chem. Phys., 153, 150902 (2020)
  17. Structure and position-dependent properties of inhomogeneous
    suspensions of responsive colloids

    Y.-C. Lin, B. Rotenberg, J. Dzubiella, Phys. Rev. E, 102, 042602 (2020).
  18. MetalWalls : A classical molecular dynamics software dedicated to the simulation of electrochemical systems
    A. Marin-Laflèche, M. Haefele, L. Scalfi, A. Coretti, T. Dufils,
    G. Jeanmairet, S. Reed, A. Serva, R. Berthin, C. Bacon, S. Bonella,
    B. Rotenberg, P. Madden, M. Salanne, J. Open Source Software, 5, 2373 (2020).
  19. Sampling mobility profiles of confined fluids with equilibrium molecular dynamics simulations
    E. Mangaud, B. Rotenberg, J. Chem. Phys., 153, 044125 (2020)
  20. Competitive salt precipitation/dissolution during free-water
    reduction in water-in-salt electrolyte

    R. Bouchal, Z. Li, S.A. Freunberger, S. Le Vot, R. Berthelot,
    B. Rotenberg, F. Favier, M. Salanne, O. Fontaine, Angew. Chem. Int. Ed., 59, 15913 (2020)
  21. Field-dependent ionic conductivities from generalized
    fluctuation-dissipation relations

    D. Lesnicki, C.Y. Gao, B. Rotenberg, D.T. Limmer, Phys. Rev. Lett., 124, 206001 (2020)
  22. Charge fluctuations from molecular simulations in the
    constant-potential ensemble

    L. Scalfi, D.T. Limmer, A. Coretti, S. Bonella, P.A. Madden, M. Salanne,
    B. Rotenberg Phys. Chem. Chem. Phys., 22, 10480 (2020)
  23. Mass-zero constrained molecular dynamics for electrode charges in
    simulations of electrochemical systems

    A. Coretti, L. Scalfi, C. Bacon, B. Rotenberg, R. Vuilleumier, G. Ciccotti, M. Salanne, S. Bonella J. Chem. Phys., 152, 194701 (2020)
  24. Correlation Length in Concentrated Electrolytes : Insights from All-Atom Molecular Dynamics Simulations
    S.W. Coles, C. Park, R. Nikam, M. Kanduc, J. Dzubiella, B. Rotenberg J. Phys. Chem. B, 124, 1778 (2020)
  25. Transport Properties of Li-TFSI Water-in-Salt Electrolytes
    Z. Li, R. Bouchal, T. Mendez-Morales, A.-L. Rollet, C. Rizzi, S. Le Vot, F. Favier, B. Rotenberg, O. Borodin, O. Fontaine, M. Salanne J. Phys. Chem. B, 123, 10514 (2019)
  26. Simulating Electrochemical Systems by Combining the Finite Field Method with a Constant Potential Electrode
    T. Dufils, G. Jeanmairet, B. Rotenberg, M. Sprik, M. Salanne Phys. Rev. Lett., 123, 195501 (2019)
  27. Study of a water-graphene capacitor with molecular density functional theory
    G. Jeanmairet, B. Rotenberg, D. Borgis, M. Salanne J. Chem. Phys., 151, 124111 (2019)
  28. Lattice Boltzmann electrokinetics simulation of nanocapacitors
    A. Asta, I. Palaia, E. Trizac, M. Levesque, B. Rotenberg, J. Chem. Phys., 151, 114104 (2019)
  29. Effect of the carbon microporous structure on the capacitance of aqueous supercapacitors
    N. Ganfoud, A. Sene, M. Haefele, A. Marin-Laflèche, B. Daffos, P.-L. Taberna, M. Salanne, P. Simon, B. Rotenberg, Energy Storage Materials 21, 190 (2019)
  30. Computing three-dimensional densities from force densities improves statistical efficiency
    S.W. Coles, D. Borigs, R. Vuilleumier, B. Rotenberg, J. Chem. Phys., 151, 064124 (2019).
  31. Chasing Aqueous Biphasic Systems from Simple Salts by Exploring the LiTFSI/LiCl/H2O Phase Diagram
    N. Dubouis, C. Park, M. Deschamps, S. Abdelghani-Idrissi, M. Kanduc,
    A. Colin, M. Salanne, J. Dzubiella, A. Grimaud, B. Rotenberg, ACS Cent. Sci., 5, 640 (2019).
  32. A molecular density functional theory approach to electron transfer reactions
    G. Jeanmairet, B. Rotenberg, M. Levesque, D. Borgis, M. Salanne, Chemical Science, 10, 2130 (2019).
  33. Performance of microporous carbon electrodes for supercapacitors : Comparing graphene with disordered materials
    T. Mendez-Morales, N. Ganfoud, Z. Li, M. Haefele, B.Rotenberg, M. Salanne, Energy Storage Material, 17, 88 (2019).
  34. Classical Polarizable Force Field To Study Hydrated Charged Clays and

    S. Tesson, W. Louisfrema, M. Salanne, A. Boutin, E. Ferrage, B. Rotenberg, V. Marry, J. Phys. Chem. C, 122, 24690 (2018).
  35. Capacitive Performance of Water-in-Salt Electrolytes in Supercapacitors : A Simulation Study
    Z. Li, G. Jeanmairet, T. Mendez-Morales, B. Rotenberg, M. Salanne, J. Phys. Chem. C, 112, 23917 (2018).
  36. Mineral- and Ion-Specific Effects at Clay–Water Interfaces : Structure, Diffusion, and Hydrodynamics
    P. Simonnin, V. Marry, B. Noetinger, C. Nieto-Draghi, B. Rotenberg, J. Phys. Chem. C, 112, 18484 (2018).
  37. Blue Energy and Desalination with Nanoporous Carbon Electrodes : Capacitance from Molecular Simulations to Continuous Models
    M. Simoncelli, N. Ganfoud, A. Sene, M. Haefele, B. Daffos, P.-L. Taberna, M. Salanne, P. Simon, B. Rotenberg, Phys. Rev. X 8, 021024 (2018)
  38. Dripplons as localized and superfast ripples of water confined
    between graphene sheets

    H. Yoshida, K. Vojtech, B. Rotenberg, L. Bocquet, Nature Commun., 9, 1496 (2018)
  39. Classical Polarizable Force Field to Study Hydrated Hectorite : Optimization on DFT Calculations and Validation against XRD Data
    R. Hande, V. Ramothe, S. Tesson, B. Dazas, E. Ferrage,
    B. Lanson, M. Salanne, B. Rotenberg and V. Marry, Mineral, 8, 205 (2018).
  40. Casimir force in dense confined electrolytes
    A.A. Lee, J.-P. Hansen, O. Bernard, B. Rotenberg, Mol. Phys., 116(21-22), 3147 (2018).
  41. Moment propagation method for the dynamics of charged
    adsorbing/desorbing species at solid-liquid interfaces

    A. Asta, M. Levesque, B. Rotenberg, Mol. Phys., 116(21-22), 2965 (2018).
  42. Daan Frenkel – An entropic career
    B. Evans, A. Galindo, G. Jackson, R. Lynden-Bell, B. Rotenberg, Mol. Phys., 116(21-22), 2737 (2018).
  43. Ion-ion correlations across and between electrified graphene layers
    T. Mendez-Morales, M. Burbano, M. Haeffele, B. Rotenberg, M. Salanne, J. Chem. Phys., 148, 193812 (2018).
  44. Underscreening in ionic liquids : a first principles analysis
    B. Rotenberg, O. Bernard, J.-P. Hansen, J. Phys. Condens. Matter, 30, 054005 (2018).
  45. Ca2+ - Cl- association in water revisited : the role of cation hydration
    M. Salanne, S. Tazi, R. Vuilleumier, B. Rotenberg, Chem. Phys. Chem., 18, 2807 (2017).
  46. Solvation in atomic liquids : Connection between Gaussian
    field theory and Density Functional Theory

    V. Sergiievskyi, M. Levesque, B. Rotenberg, D. Borgis, Condens. Matter Phys., 20, 33005 (2017).
  47. Transient hydrodynamic finite-size effects in simulations under periodic boundary conditions
    A.J. Asta, M. Levesque, R. Vuilleumier, B. Rotenberg, Phys. Rev. E, 95, 061301 (2017).
  48. Diffusion under confinement : hydrodynamic finite-size effects in simulation,
    P. Simonnin, B. Noetinger, C. Nieto-Draghi, V. Marry, B. Rotenberg, J. Chem. Theory Comput., 13, 2881 (2017).
  49. Classical Polarizable Force Field To Study Dry Charged Clays and Zeolites
    S. Tesson, W. Louisfrema, M. Salanne, A. Boutin, B. Rotenberg, V. Marry, J. Phys. Chem. C, 121, 9833 (2017).
  50. Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations
    A. Carof, M. Salanne, T. Charpentier, B. Rotenberg, J. Chem. Phys., 145, 124508 (2016).
  51. Cation Migration and Structural Deformations upon Dehydration of Nickel-Exchanged NaY Zeolite : A Combined Neutron Diffraction and Monte Carlo Study
    W. Louisfrema, J.-L. Paillaud, F. Porcher, E. Perrin, T. Onfroy, P. Massiani, A. Boutin, B. Rotenberg, J. Phys. Chem. C, 120, 18115 (2016).
  52. Vers des supercondensateurs plus performants : Quand expériences et simulations permettent d’élucider les mécanismes à l’échelle nanométrique
    B. Rotenberg, M. Salanne, P. Simon, Actual. Chim., 413, 48 (2016).
  53. Multi-scale modelling of supercapacitors : From molecular simulations
    to a transmission line model

    C. Péan, B. Rotenberg, P. Simon, M. Salanne, J. Power Sources, 326, 680 (2016).
  54. Stockage de charge dans les carbones nanoporeux : L’origine moléculaire de la supercapacité
    C. Merlet, C. Péan, M. Salanne, B. Rotenberg, Actual. Chim., 408-409, 43 (2016).
  55. Upscaling Electrokinetic transport in clays with Lattice Boltzmann and Pore Network Models
    A. Obliger, M. Jardat, D. Coelho, S. Békri, B. Rotenberg, The Clay Minerals Society Workshop Lectures Series, 21, Chap. 10, 129–135 (2016).
  56. Efficient storage mechanisms for building better supercapacitors
    M. Salanne, B. Rotenberg, K. Naoi, K. Kaneko, P.-L. Taberna, C.P. Grey, B. Dunn, P. Simon, Nature Energy, 1, 16070 (2016).
  57. Understanding the different (dis)charging steps of supercapacitors : influence of potential and solvation
    C. Péan, B. Rotenberg, P. Simon, M. Salanne, Electrochim. Acta, 206, 504 (2016).
  58. Molecular Hydrodynamics from Memory Kernels
    D. Lesnicki, R. Vuilleumier, A. Carof, B. Rotenberg, Phys. Rev. Lett., 116, 147804 (2016).
  59. A Classical Polarizable Force Field for Clays : Pyrophyllite and Talc
    S. Tesson, M. Salanne, B. Rotenberg, S. Tazi, V. Marry, J. Phys. Chem. C, 120, 3749 (2016).
  60. Modeling the transport of water and ionic tracers in a micrometric clay sample
    P. Bacle, J.-F. Dufrêche, B. Rotenberg, I.C. Bourg, V. Marry, App. Clay. Sci., 123, 18 (2016).
  61. Structural Transitions at Ionic Liquid Interfaces
    B. Rotenberg, M. Salanne, J. Phys. Chem. Lett., 6, 4978 (2015).
  62. On the microscopic fluctuations driving the NMR relaxation
    of quadrupolar ions in water

    A. Carof, M. Salanne, T. Charpentier, B. Rotenberg, J. Chem. Phys., 143, 194504 (2015).
  63. Confinement, desolvation and electrosorption effects on the diffusion
    of ions in nanoporous carbon electrodes

    C. Péan, B. Daffos, B. Rotenberg, P. Levitz, M. Haefele, P.-L. Taberna,
    P. Simon, M. Salanne, J. Am. Chem. Soc., 137, 12627 (2015).
  64. Diffusion in bulk liquids : finite-size effects in anisotropic systems
    A. Botan, V. Marry and B. Rotenberg, Mol. Phys., 113, 2363 (2015).
  65. Stochastic Rotation Dynamics simulation of electro-osmosis
    D.R. Ceratti, A. Obliger, M. Jardat, B. Rotenberg and V. Dahirel, Mol. Phys., 113, 2476 (2015).
  66. Jean-Pierre Hansen - a stimulating history of simulating fluids
    B. Rotenberg, G. Jackson and D. Frenkel, Mol. Phys., 113, 2363 (2015).
  67. Cation redistribution upon dehydration of Na58Y faujasite zeolite : a joint neutron diffraction and molecular simulation study
    W. Louisfrema, B. Rotenberg, F. Porcher, J.-L. Paillaud, P. Massiani and
    A. Boutin, Mol. Simul., 41(16-17), 1371 (2015).
  68. Unexpected coupling between flow and adsorption in porous media
    J.-M. Vanson, F.-X. Coudert, B. Rotenberg, M. Levesque, C. Tardivat,
    M. Klotz and A. Boutin, Soft Matter, 11, 6125 (2015).
  69. Single electrode capacitances of porous carbons in neat ionic liquid
    electrolyte at 100°C : a combined experimental and modeling approach

    C. Péan, B. Daffos, C. Merlet, B. Rotenberg, P.-L. Taberna, P. Simon and M. Salanne,
    J. Electrochem. Soc., 162, A5091 (2015).
  70. Accurate Quadrupolar NMR Relaxation Rates of Aqueous Cations from
    Classical Molecular Dynamics

    A. Carof, M. Salanne, T. Charpentier et B. Rotenberg,
    J. Phys. Chem. B, 118, 13252 (2014).
  71. Water in clay nanopores
    B. Rotenberg,
    MRS Bulletin, 39, 1074 (2014).
  72. Multiscale modelling of transport in clays, from the molecular to the
    sample scale

    B. Rotenberg, V. Marry, M. Salanne, M. Jardat et P. Turq,
    C.R. Geoscience, 346, 298 (2014).
  73. Plus d’électricité dans les carbones
    M. Salanne, B. Rotenberg et P. Simon,
    La Recherche, 491, 52 (2014).
  74. The Electric Double Layer Has a Life of Its Own
    C. Merlet, D.T. Limmer, M. Salanne, R. van Roij, P.A. Madden, D. Chandler et B. Rotenberg,
    J. Phys. Chem. C, 118, 12891 (2014). Cet article fait la couverture du volume et l’objet d’un Editorial par A. Kornyshev et R. Qiao.
  75. Structure of tetraalkylammonium ionic liquids in the interlayer of
    modified Montmorillonite

    D. Duarte, M. Salanne, B. Rotenberg, M.A. Bizeto et L.J.A. Siqueira,
    J. Phys. : Condens. Matter, 26, 284107 (2014).
  76. Numerical study of density functional theory with mean spherical approximation for ionic condensation in highly charged confined electrolytes
    R. Joubaud, O. Bernard, P. Turq, A. Delville et A. Ern,
    Phys. Rev. E, 89, 062302 (2014).
  77. Hydration of Clays at the Molecular Scale : The Promising Perspective
    of Classical Density Functional Theory

    G. Jeanmairet, V. Marry, M. Levesque, B. Rotenberg et D. Borgis,
    Mol. Phys., 112, 1320 (2014).
  78. Salt-induced effective interactions and phase separation of an
    ultrasoft model of polyelectrolytes

    B. Rotenberg, O. Bernard et J.-P. Hansen
    Mol. Phys., 112, 1313 (2014).
  79. Pierre Turq, a scientist in charge and at interfaces
    B. Ancian et al.
    Mol. Phys., 112, 1213 (2014).
  80. Pore network model of electrokinetic transport through charged porous media
    A. Obliger, M. Jardat, D. Coelho, S. Bekri et B. Rotenberg,
    Phys. Rev. E, 89, 043013 (2014).
  81. Physico-chimie des interfaces chargées : modélisation multi-échelle et applications pour l’énergie,
    B. Rotenberg,
    Actual. Chim., 384, 21 (2014).
  82. Two algorithms to compute projected correlation functions in molecular
    dynamics simulations

    A. Carof, R. Vuilleumier et B. Rotenberg,
    J. Chem. Phys., 140, 124103 (2014).
  83. On the dynamics of charging in nanoporous carbon-based

    C. Péan, C. Merlet, B. Rotenberg, P.A. Madden, P.L. Taberna, B. Daffos, M. Salanne et P. Simon,
    ACS Nano, 8 1576 (2014).
  84. Computation of pair distribution functions and three-dimensional densities with a reduced variance principle
    D. Borgis, R. Assaraf, B. Rotenberg et R. Vuilleumier,
    Mol. Phys., 111, 3486 (2013).
  85. Coarse graining the dynamics of nano-confined solutes : the case of ions in clays
    A. Carof, V. Marry, M. Salanne, J.P. Hansen, P. Turq et B. Rotenberg,
    Mol. Simul., 40, 237 (2013).
  86. Molecular Simulation of CO2- and CO3-Brine-Mineral Systems
    L.H. Hamm, I.C. Bourg, A.F. Wallace et B. Rotenberg,
    Rev. Mineral. Geochem., 77, 189 (2013).
  87. Highly confined ions store charge more efficiently in supercapacitors
    C. Merlet, C. Péan, B. Rotenberg, P.A. Madden, B. Daffos, P.-L. Taberna, P. Simon et M. Salanne,
    Nature Comm., 4, 2701 (2013).
  88. Computer simulations of ionic liquids at electrochemical interfaces
    C. Merlet, B. Rotenberg, P.A. Madden et M. Salanne,
    Phys. Chem. Chem. Phys., 15, 15781 (2013).
  89. Charge Fluctuations in Nanoscale Capacitors
    D.T. Limmer, C. Merlet, M. Salanne, D. Chandler, P.A. Madden, R. van Roij et B. Rotenberg,
    Phys. Rev. Lett., 111, 106102 (2013).
  90. Numerical homogenization of electrokinetic equations in porous media using lattice-Boltzmann simulations
    A. Obliger, M. Duvail, M. Jardat, D. Coelho, S. Békri et B. Rotenberg,
    Phys. Rev. E, 88, 013019 (2013).
  91. Accounting for adsorption and desorption in lattice Boltzmann simulations
    M. Levesque, M. Duvail, I. Pagonabarraga, D. Frenkel et B. Rotenberg,
    Phys. Rev. E, 88, 013308 (2013). Article choisi pour le PRE Kaleidoscope.
  92. Electrokinetics : insights from simulation on the microscopic scale (Topical Review),
    B. Rotenberg et I. Pagonabarraga,
    Mol. Phys., 111, 827 (2013). Voir aussi l’éditorial.
  93. Influence of solvation on the structural and capacitive properties of electrical double layer capacitors
    C. Merlet, M. Salanne, B. Rotenberg et P. Madden,
    Electrochimica Acta, 101, 262 (2013)
  94. Molecular diffusion between walls with adsorption and desorption
    M. Levesque, O. Benichou et B. Rotenberg,
    J. Chem. Phys., 138, 034107 (2013)
  95. Simulating Supercapacitors : Can We Model Electrodes As Constant Charge Surfaces ?
    C. Merlet, C. Péan, B. Rotenberg, P.A. Madden, P. Simon and M. Salanne,
    J. Phys. Chem. Lett., 4, 264 (2013)
  96. How Electrostatics Influences Hydrodynamic Boundary Conditions : Poiseuille and Electro-osmostic Flows in Clay Nanopores.
    A. Botan, V. Marry, B. Rotenberg, P. Turq, and B. Noetinger,
    J. Phys. Chem. C, 117, 978 (2013)
  97. Solvation of complex surfaces via molecular density functional theory
    M. Levesque, V. Marry, B. Rotenberg, G. Jeanmairet, R. Vuilleumier and D. Borgis,
    J. Chem. Phys., 137, 224107 (2012)
  98. Taylor dispersion with adsorption and desorption
    M. Levesque, O. Benichou, R. Voituriez and B. Rotenberg,
    Phys. Rev. E, 86, 036316 (2012)
  99. Absolute acidity of clay edge sites from ab-initio simulations
    S. Tazi, B. Rotenberg, M. Salanne, M. Sprik and M. Sulpizi,
    Geochimica et Cosmochimica Acta, 94, 1 (2012).
  100. Diffusion coefficient and shear viscosity of rigid water models
    S. Tazi, A. Botan, M. Salanne, V. Marry, P. Turq et B. Rotenberg, `
    J. Phys. Cond. Matter, 24, 284117 (2012)
  101. New Coarse-Grained Models of Imidazolium Ionic Liquids for Bulk and Interfacial Molecular Simulations
    C. Merlet, M. Salanne et B. Rotenberg,
    J. Phys. Chem. C, 116, 7687 (2012)
  102. On the molecular origin of supercapacitance in nanoporous carbon electrodes
    C. Merlet, B. Rotenberg, P.A. Madden, P.-L. Taberna, P. Simon, Y. Gogotsi et M. Salanne,
    Nature Mater., 11, 306 (2012)
  103. A transferable ab-initio based force field for aqueous ions
    S. Tazi, J. Molina, B. Rotenberg, P. Turq, R. Vuilleumier et M. Salanne,
    J. Chem. Phys., 136, 114507 (2012)
  104. Including many-body effects in models for ionic liquids
    M. Salanne, B. Rotenberg, S. Jahn, R. Vuilleumier, C. Simon and P. Madden,
    Theo. Chem. Acc., 131, 1143 (2012)
  105. Molecular explanation for why talc surfaces can be both hydrophilic and hydrophobic
    B. Rotenberg, A.J. Patel, D. Chandler,
    J. Am. Chem. Soc., 133, 20521 (2011). On en parle ici et la.
  106. Imidazolium Ionic Liquid Interfaces with Vapor and Graphite : Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations
    C. Merlet, M. Salanne, B. Rotenberg and P. Madden,
    J. Phys. Chem. C, 115, 16613 (2011)
  107. Hydrodynamics in Clay Nanopores
    A. Botan, B. Rotenberg, V. Marry, P. Turq, and B. Noetinger,
    J. Phys. Chem. C, 115, 16109 (2011)
  108. Carbon Dioxide in Montmorillonite Clay Hydrates : Thermodynamics, Structure, and Transport from Molecular Simulation
    A. Botan, B. Rotenberg, V. Marry, P. Turq and B. Noetinger,
    J. Phys. Chem. C, 114, 14962 (2010)
  109. Recent advances in the modelling and simulation of electrokinetic effects : bridging the gap between atomistic and macroscopic descriptions
    I. Pagonabarraga, B. Rotenberg and D. Frenkel,
    Phys. Chem. Chem. Phys, 12, 9566, Perspective article (2010)
  110. Molecular simulation of aqueous solutions at clay

    B. Rotenberg, V. Marry, N. Malikova and P. Turq,
    J. Phys. : Condens. Matter, 22, 284114 (2010)
  111. From Localized Orbitals to Material Properties : Building Classical Force Fields for Nonmetallic Condensed Matter Systems
    B. Rotenberg, M. Salanne, C. Simon and R. Vuilleumier,
    Phys. Rev. Lett. 104, 138301 (2010)
  112. Dynamics in Clays - Combining Neutron Scattering and Microscopic Simulation
    N. Malikova, E. Dubois, V. Marry, B. Rotenberg and P. Turq,
    Z. Phys. Chem. 244, 153 (2010)
  113. Coarse-grained simulations of charge, current and flow in
    heterogeneous media

    B. Rotenberg, I. Pagonabarraga and D. Frenkel,
    Faraday Discussions, 144, 223 (2010). Cet article fait la couverture du volume 144 "Multiscale Modelling of Soft
  114. On the driving force of cation exchange in clays : Insights from combined microcalorimetry experiments and molecular simulation
    B. Rotenberg, J.-P. Morel, V. Marry, P. Turq and N. Morel-Desrosiers,
    Geochimica et Cosmochimica Acta, 73, 4034 (2009)
  115. Salt exclusion in charged porous media : a coarse-graining strategy in the case of montmorillonite clays
    M. Jardat, J.-F. Dufrêche, V. Marry, B. Rotenberg and P. Turq,
    Phys. Chem. Chem. Phys., 11, 2023 (2009)
  116. Dispersion of charged tracers in charged porous media
    B. Rotenberg, I. Pagonabarraga and D. Frenkel,
    Europhys. Lett., 83, 34004 (2008)
  117. Structure and dynamics of water at a clay surface from molecular dynamics simulation
    V. Marry, B. Rotenberg and P. Turq,
    Phys. Chem. Chem. Phys., 10, 4802 (2008)
  118. Modelling water and ion diffusion in clays : A multiscale approach
    B. Rotenberg, V. Marry, J.-F. Dufrêche, N. Malikova, E. Giffaut and P. Turq,
    Comptes Rendus Chimie, 10, 1108 (2007)
  119. Water and ions in clays : Unraveling the interlayer/micropore exchange using molecular dynamics
    B. Rotenberg, V. Marry, R. Vuilleumier, N. Malikova, C. Simon and P. Turq,
    Geochim. Cosmochim. Acta, 71, 5089 (2007)
  120. A multiscale approach to ion diffusion in clays : Building a two-state diffusion-reaction scheme from microscopic dynamics
    B. Rotenberg, V. Marry, J.-F. Dufrêche, E. Giffaut and P. Turq,
    J. Coll. Interf. Sci., 309 (2), 289-295 (2007)
  121. Second-order Lattice Fokker-Planck algorithm from the trapezoidal rule
    B. Rotenberg and D. Moroni,
    Phys. Rev. E, 74, 037701 (2006)
  122. Solving the Fokker-Planck kinetic equation on a lattice
    D. Moroni, B. Rotenberg, J.-P. Hansen, S. Succi and S. Melchionna,
    Phys. Rev. E, 73, 066707 (2006)
  123. Ion dynamics in compacted clays : Derivation of a two-state diffusion-reaction scheme from the lattice Fokker-Planck equation
    B. Rotenberg, J.-F. Dufrêche, B. Bagchi, E. Giffaut, J.-P. Hansen and P. Turq,
    J. Chem. Phys., 124, 154701-154712 (2006)
  124. Dielectric Spectroscopy as a probe for dynamic properties of compacted smectites
    A. Cadène, B. Rotenberg, S. Durand-Vidal, J.-C. Badot and P. Turq,
    Phys. Chem. Earth, 31 (10-14) 505-510 (2006)
  125. Preparation of doublet, triangular, and tetrahedral clusters by controlled emulsification
    D. Zerrouki, B. Rotenberg, S. Abramson, J. Baudry, C. Goubault, F.L. Calderon, D. Pine and J. Bibette,
    Langmuir, 22, 57-62 (2006)
  126. Frequency-dependent dielectric permittivity of salt-free charged lamellar systems
    B. Rotenberg, J.-F. Dufrêche and P. Turq,
    J. Chem. Phys., 123, 154902-154913 (2005)
  127. An analytical model for probing ion dynamics in clays with Broadband Dielectric Spectroscopy
    B. Rotenberg, A. Cadène, J.-F. Dufrêche, S. Durand-Vidal, J.-C. Badot and P. Turq,
    J. Phys. Chem. B, 109, 15548-15557 (2005)
  128. Encapsulation of magnetic and fluorescent nanoparticles in emulsion droplets
    S. Mandal, N. Lequeux, B. Rotenberg, M. Tramier, J. Fattaccioli, J. Bibette and B. Dubertret,
    Langmuir, 21 (9) 4175-4179 (2005)
  129. An integral equation approach to effective interactions between polymers in solution
    V. Krakoviack, B. Rotenberg and J.-P. Hansen,
    J. Phys. Chem B, 108 (21) 6697-6706 (2004)
  130. Thermodynamic perturbation theory of the phase behavior of colloid / interacting polymer mixtures
    B. Rotenberg, J. Dzubiella, J.-P. Hansen and A. A. Louis,
    Mol. Phys., 102 (1) 1-11 (2004)
  131. Effect of polymer-polymer interactions on the surface tension of colloid-polymer mixtures
    A. Moncho-Jorda, B. Rotenberg and A. A. Louis,
    J. Chem. Phys., 119 (23) 12667-12672 (2003)
  132. H2+ in intense laser field pulses : ionization versus dissociation whitin moving nuclei simulations
    B. Rotenberg, R. Taieb, V. Véniard and A. Maquet,
    J. Phys. B, 35 (17), L397-L402 (2002)

Revenir à Benjamin Rotenberg