Making Sense of Electrical Noise by Simulating Electrolyte Solutions

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Frequency-Dependent Impedance of Nanocapacitors from Electrode Charge Fluctuations as a Probe of Electrolyte Dynamics

Author(s): Giovanni Pireddu, Benjamin Rotenberg
Published in: Physical Review Letters, 2023, Page(s) Vol. 130, p. 098001, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.130.098001

Microscopic Simulations of Electrochemical Double-Layer Capacitors

Author(s): Guillaume Jeanmairet, Benjamin Rotenberg, Mathieu Salanne
Published in: Chemical Reviews, 2022, Page(s) Vol. 122, p. 10860, ISSN 0009-2665
Publisher: American Chemical Society
DOI: 10.1021/acs.chemrev.1c00925

Frequency and field-dependent response of confined electrolytes from Brownian dynamics simulations

Author(s): Thê Hoang Ngoc Minh, Gabriel Stoltz, Benjamin Rotenberg
Published in: The Journal of Chemical Physics, 2023, Page(s) Vol. 158, p. 104103, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0139258

Molecular Simulation of Electrode-Solution Interfaces

Author(s): Laura Scalfi; Mathieu Salanne; Mathieu Salanne; Benjamin Rotenberg; Benjamin Rotenberg
Published in: Annual Review of Physical Chemistry, 2021, Page(s) 72 (1), pp.189-212, ISSN 0066-426X
Publisher: Annual Reviews, Inc.
DOI: 10.1146/annurev-physchem-090519-024042

Ionic fluctuations in finite volumes: fractional noise and hyperuniformity

Author(s): Thê Hoang Ngoc Minh, Benjamin Rotenberg, Sophie Marbach
Published in: Faraday Discussions, 2023, ISSN 1359-6640
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3fd00031a

On the Gibbs-Thomson equation for the crystallization of confined fluids

Author(s): Laura Scalfi; Benoit Coasne; Benjamin Rotenberg
Published in: Journal of Chemical Physics, 2021, Page(s) Vol.154, pp. 114711, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0044330

Induced charges in a Thomas–Fermi metal: insights from molecular simulations

Author(s): Swetha Nair, Giovanni Pireddu, Benjamin Rotenberg
Published in: Molecular Physics, 2024, ISSN 0026-8976
Publisher: Taylor & Francis
DOI: 10.1080/00268976.2024.2365990

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Author(s): Alessandro Coretti, Camille Bacon, Roxanne Berthin, Alessandra Serva, Laura Scalfi, Iurii Chubak, Kateryna Goloviznina, Matthieu Haefele, Abel Marin-Laflèche, Benjamin Rotenberg, Sara Bonella, Mathieu Salanne
Published in: The Journal of Chemical Physics, 2022, Page(s) Vol. 157, p. 184801, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0101777

Chemi-sorbed versus physi-sorbed surface charge and its impact on electrokinetic transport: carbon versus boron-nitride surface

Author(s): Etienne Mangaud, Marie-Laure Bocquet, Lydéric Bocquet, Benjamin Rotenberg
Published in: Journal of Chemical Physics, 2022, Page(s) Vol. 156, pp. 044703, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0074808

Grand-canonical molecular dynamics simulations powered by a hybrid 4D nonequilibrium MD/MC method: Implementation in LAMMPS and applications to electrolyte solutions

Author(s): Jeongmin Kim, Luc Belloni, Benjamin Rotenberg
Published in: The Journal of Chemical Physics, 2023, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0168878

On analytical theories for conductivity and self-diffusion in concentrated electrolytes

Author(s): Olivier Bernard, Marie Jardat, Benjamin Rotenberg, Pierre Illien
Published in: The Journal of Chemical Physics, 2023, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0165533

On the molecular correlations that result in field-dependent conductivities in electrolyte solutions

Author(s): Dominika Lesnicki; Chloe Ya Gao; David T. Limmer; Benjamin Rotenberg
Published in: Journal of Chemical Physics, 2021, Page(s) Vol 155, p 014507, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0052860

Effect of the metallicity on the capacitance of gold-aqueous sodium chloride interfaces.

Author(s): Alessandra Serva; Alessandra Serva; Laura Scalfi; Laura Scalfi; Benjamin Rotenberg; Benjamin Rotenberg; Mathieu Salanne; Mathieu Salanne; Mathieu Salanne
Published in: Journal of Chemical Physics, 2021, Page(s) Vol.155 (4), pp.044703, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0060316

Reduced variance analysis of molecular dynamics simulations by linear combination of estimators.

Author(s): Coles, S. W.; Mangaud, E.; Frenkel, D.; Rotenberg, B.
Published in: Journal of Chemical Physics, 2021, Page(s) Vol. 154, pp. 191101, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0053737

Use the force! Reduced variance estimators for densities, radial distribution functions, and local mobilities in molecular simulations.

Author(s): Rotenberg, Benjamin
Published in: Journal of Chemical Physics, 2020, Page(s) Vol. 153, pp. 150902, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0029113

Likelihood-based non-Markovian models from molecular dynamics

Author(s): Hadrien Vroylandt, Ludovic Goudenège, Pierre Monmarché, Fabio Pietrucci and Benjamin Rotenberg
Published in: Proceedings of the National Academy of Sciences of the United States of America, 2022, Page(s) Vol. 118, pp. e2117586119, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2117586119

Electrical noise in electrolytes: a theoretical perspective

Author(s): Thê Hoang Ngoc Minh, Jeongmin Kim, Giovanni Pireddu, Iurii Chubak, Swetha Nair, Benjamin Rotenberg
Published in: Faraday Discussions, 2023, ISSN 1359-6640
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3fd00026e

Quadrupolar 23Na+ NMR relaxation as a probe of subpicosecond collective dynamics in aqueous electrolyte solutions

Author(s): Iurii Chubak, Leeor Alon, Emilia V Silletta, Guillaume Madelin, Alexej Jerschow, Benjamin Rotenberg
Published in: Nature Communications, 2023, Page(s) Vol. 14, p. 84, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-022-35695-3

NMR Relaxation Rates of Quadrupolar Aqueous Ions from Classical Molecular Dynamics Using Force-Field Specific Sternheimer Factors.

Author(s): Iurii Chubak; Laura Scalfi; Antoine Carof; Benjamin Rotenberg
Published in: Journal of Chemical Theory and Computation, 2021, Page(s) Vol. 17, pp. 6006, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.1c00690

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Author(s): Philip Loche, Laura Scalfi, Mustakim Ali Amu, Otto Schullian, Douwe Bonthuis, Benjamin Rotenberg, Roland Netz
Published in: The Journal of Chemical Physics, 2022, Page(s) Vol. 157, p. 094707, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0101509

Microscopic origin of the effect of substrate metallicity on interfacial free energies

Author(s): Laura Scalfi, Benjamin Rotenberg
Published in: Proceedings of the National Academy of Sciences, 2021, Page(s) Vol. 118, pp. e2108769118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2108769118

A molecular perspective on induced charges on a metallic surface.

Author(s): Giovanni Pireddu; Laura Scalfi; Laura Scalfi; Benjamin Rotenberg; Benjamin Rotenberg
Published in: Journal of Chemical Physics, 2021, Page(s) Vol. 155, pp. 204705, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0076127

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