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A Classical Polarizable Force Field for Clays: Pyrophyllite and Talc

Stephan Tesson , Mathieu Salanne , Benjamin Rotenberg , Sami Tazi , Virginie Marry
Journal of Physical Chemistry C, 2016, 120 (7), pp.3749-3758. ⟨10.1021/acs.jpcc.5b10181⟩
Article dans une revue hal-01480737v1
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Upscaling electrokinetic transport in clays with lattice Boltzmann and Pore Network Models

Amaël Obliger , Marie Jardat , Daniel Coelho , Samir Bekri , Benjamin Rotenberg
The Clay Minerals Society. CMS Workshop Lectures, Volume 21: Filling The Gaps–From Microscopic Pore Structures To Transport Properties In Shales, 21, , pp.129-135, 2016, Clay Minerals Society Workshop Lectures Series, ⟨10.1346/CMS-WLS-21.10⟩
Chapitre d'ouvrage hal-01484797v1
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Simulating electrochemical systems by combining the finite field method with a constant potential electrode

Thomas Dufils , Guillaume Jeanmairet , Benjamin Rotenberg , Michiel Sprik , Mathieu Salanne
Physical Review Letters, 2019, 123 (19), ⟨10.1103/PhysRevLett.123.195501⟩
Article dans une revue hal-02347013v1
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Charge fluctuations from molecular simulations in the constant-potential ensemble

Laura Scalfi , David T. Limmer , Alessandro Coretti , Sara Bonella , Paul A. Madden , et al.
Physical Chemistry Chemical Physics, 2020, 22 (19), pp.10480-10489. ⟨10.1039/C9CP06285H⟩
Article dans une revue hal-02869879v1
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On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water

Antoine Carof , Mathieu Salanne , Thibault Charpentier , Benjamin Rotenberg
Journal of Chemical Physics, 2015, 143, pp.194504. ⟨10.1063/1.4935496⟩
Article dans une revue cea-01230107v1
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On the molecular correlations that result in field-dependent conductivities in electrolyte solutions

Dominika Lesnicki , Chloe y Gao , David T Limmer , Benjamin Rotenberg
Journal of Chemical Physics, 2021, 155 (1), pp.014507. ⟨10.1063/5.0052860⟩
Article dans une revue hal-03289900v1
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Computation of pair distribution functions and three- dimensional densities with a reduced variance principle

Daniel Borgis , Roland Assaraf , Benjamin Rotenberg , Rodolphe Vuilleumier
Molecular Physics, 2013, 111, pp.3486
Article dans une revue hal-01078958v1
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Molecular simulation of aqueous solutions at clay surfaces

Benjamin Rotenberg , Virginie Marry , Natalie Malikova , Pierre Turq
Journal of Physics: Condensed Matter, 2010, 22 (28), pp.284114. ⟨10.1088/0953-8984/22/28/284114⟩
Article dans une revue hal-00531718v1
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Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations

Céline Merlet , Mathieu Salanne , Benjamin Rotenberg , Paul A Madden
Journal of Physical Chemistry C, 2011, 115 (33), pp.16613-16618. ⟨10.1021/jp205461g⟩
Article dans une revue hal-00854030v1
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How Electrostatics Influences Hydrodynamic Boundary Conditions: Poiseuille and Electro-osmostic Flows in Clay Nanopores.

Alexandru Boţan , Virginie Marry , Benjamin Rotenberg , Pierre Turq , Benoit Noetinger
Journal of Physical Chemistry C, 2012, 117 (2), pp 978-985. ⟨10.1021/jp3092336⟩
Article dans une revue hal-01484359v1
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Dispersion of charged tracers in charged porous media

Benjamin Rotenberg , I. Pagonabarraga , Daan Frenkel
EPL - Europhysics Letters, 2008, 83, pp.34004. ⟨10.1209/0295-5075/83/34004⟩
Article dans une revue hal-00369645v1
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Classical Polarizable Force Field to Study Dry Charged Clays and Zeolites

Stéphane Tesson , Wilfried Louisfrema , Mathieu Salanne , Anne Boutin , Benjamin Rotenberg , et al.
Journal of Physical Chemistry C, 2017, ⟨10.1021/acs.jpcc.7b00270⟩
Article dans une revue hal-01515667v1

Water and ionic exchange between interlayer and microporosity from molecular dynamics simulation

Benjamin Rotenberg , Virginie Marry , Natalie Malikova , Rodolphe Vuilleumier , Eric Giffaut , et al.
Enchanted Clays – the 44th annual meeting of the Clay Minerals Society, Jun 2007, Santa Fe, United States
Communication dans un congrès hal-00173422v1
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Structure and position-dependent properties of inhomogeneous suspensions of responsive colloids

Yi-Chen Lin , Benjamin Rotenberg , Joachim Dzubiella
Physical Review E , 2020, 102 (4), ⟨10.1103/PhysRevE.102.042602⟩
Article dans une revue hal-02975343v1
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Ionic fluctuations in finite volumes: fractional noise and hyperuniformity

Thê Hoang Ngoc Minh , Benjamin Rotenberg , Sophie Marbach
Faraday Discussions, 2023, ⟨10.1039/D3FD00031A⟩
Article dans une revue hal-04186532v1
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Single Electrode Capacitances of Porous Carbons in Neat Ionic Liquid Electrolyte at 100 C: A Combined Experimental and Modeling Approach

Clarisse Péan , Barbara Daffos , Céline Merlet , Benjamin Rotenberg , Pierre-Louis Taberna , et al.
Journal of The Electrochemical Society, 2015, vol. 162 (n° 5), pp. A5091-A5095. ⟨10.1149/2.0151505jes⟩
Article dans une revue hal-01446690v1
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Modeling the transport of water and ionic tracers in a micrometric clay sample

Pauline Bacle, , Jean-François Dufrêche , Benjamin Rotenberg , Ian C. Bourg , Virginie Marry
Applied Clay Science, 2016, 123, pp.18--28. ⟨10.1016/j.clay.2015.12.014⟩
Article dans une revue hal-01484130v1
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Stochastic Rotation Dynamics simulation of electro-osmosis

Davide R. Ceratti , Amaël Obliger , Marie Jardat , Benjamin Rotenberg , Vincent Dahirel
Molecular Physics, 2015, pp.1-11. ⟨10.1080/00268976.2015.1037370⟩
Article dans une revue hal-01212122v1
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Transient hydrodynamic finite-size effects in simulations under periodic boundary conditions

Adelchi J. Asta , Maximilien Levesque , Rodolphe Vuilleumier , Benjamin Rotenberg
Physical Review E , 2017, 95 (6), pp.061301. ⟨10.1103/PhysRevE.95.061301⟩
Article dans une revue hal-01548459v1
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Ca 2+ -Cl − Association in Water Revisited: the Role of Cation Hydration

Mathieu Salanne , Sami Tazi , Rodolphe Vuilleumier , Benjamin Rotenberg
ChemPhysChem, 2017, 18 (19), pp.2807 - 2811. ⟨10.1002/cphc.201700286⟩
Article dans une revue hal-01634885v1

Solvation of complex surfaces via molecular density functional theory

Maximilien Levesque , Virginie Marry , Benjamin Rotenberg , Guillaume Jeanmairet , Rodolphe Vuilleumier , et al.
Journal of Chemical Physics, 2012, 137 (22), ⟨10.1063/1.4769729⟩
Article dans une revue hal-01308817v1
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Hydrodynamics in Clay Nanopores

Alexandru Boţan , Benjamin Rotenberg , Virginie Marry , Pierre Turq , Benoît Noetinger
Journal of Physical Chemistry C, 2011, 115 (32), pp.16109 - 16115. ⟨10.1021/jp204772c⟩
Article dans une revue hal-01920439v1
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On the molecular origin of supercapacitance in nanoporous carbon electrodes

Céline Merlet , Benjamin Rotenberg , Paul Anthony Madden , Pierre-Louis Taberna , Patrice Simon , et al.
Nature Materials, 2012, vol. 11 (n° 4), pp. 306-310. ⟨10.1038/NMAT3260⟩
Article dans une revue hal-01153072v1

Including many-body effects in models for ionic liquids

Mathieu Salanne , Benjamin Rotenberg , Sandro Jahn , Rodolphe Vuilleumier , Christian Simon , et al.
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2012, 131 (3), pp.131:1143. ⟨10.1007/s00214-012-1143-9⟩
Article dans une revue hal-01897603v1
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A molecular perspective on induced charges on a metallic surface

Giovanni Pireddu , Laura Scalfi , Benjamin Rotenberg
Journal of Chemical Physics, 2021, 155 (20), pp.204705. ⟨10.1063/5.0076127⟩
Article dans une revue hal-03472876v1
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Preparation of doublet, triangular, and tetrahedral colloidal clusters by controlled emulsification

Djamal Zerrouki , Benjamin Rotenberg , Sébastien Abramson , Jean Baudry , Cécile Goubault , et al.
Langmuir, 2006, 22, pp.57. ⟨10.1021/la051765t⟩
Article dans une revue hal-00079315v1
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Modélisation multi-échelles du comportement de l'eau et des ions dans les argiles

Benjamin Rotenberg
Matériaux. Université Pierre et Marie Curie - Paris VI, 2007. Français. ⟨NNT : ⟩
Thèse tel-00181433v1
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A multiscale approach to ion diffusion in clays: Building a two-state diffusion–reaction scheme from microscopic dynamics

Benjamin Rotenberg , Virginie Marry , Jean-François Dufrêche , Eric Giffaut , Pierre Turq
Journal of Colloid and Interface Science, 2007, Elkin 06, International Electrokinetics Conference, June 25-29, Nancy, France, 309 (2), pp.289 - 295. ⟨10.1016/j.jcis.2007.01.090⟩
Article dans une revue hal-01917520v1

Effect of polymer–polymer interactions on the surface tension of colloid–polymer mixtures

A. Moncho-Jordá , Benjamin Rotenberg , A. A. Louis
Journal of Chemical Physics, 2003, 119 (23), pp.12667 - 12672. ⟨10.1063/1.1621613⟩
Article dans une revue hal-01897635v1
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Reduced variance analysis of molecular dynamics simulations by linear combination of estimators

S. W Coles , E. Mangaud , D. Frenkel , B. Rotenberg
Journal of Chemical Physics, 2021, 154 (19), pp.191101. ⟨10.1063/5.0053737⟩
Article dans une revue hal-03228407v1