Making Sense of Electrical Noise by Simulating Electrolyte Solutions

Project Information

SENSES

Grant agreement ID: 863473

DOI

10.3030/863473

EC signature date 14 January 2020

Start date 1 October 2020

End date 31 March 2026

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 781 893,00

EU contribution

€ 1 781 893,00

Coordinated by

CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
France

CORDIS provides links to public deliverables and publications of HORIZON projects.

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

Peer reviewed articles (27)

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

Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations

Author(s): Kateryna Goloviznina, Johann Fleischhaker, Tobias Binninger, Benjamin Rotenberg, Heigo Ers, Vladislav Ivanistsev, Robert Meissner, Alessandra Serva, Mathieu Salanne
Published in: Advanced Materials, 2024, ISSN 0935-9648
Publisher: United Nations Industrial Developement Organization
DOI: 10.1002/adma.202405230

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

Data-Driven Path Collective Variables

Author(s): Arthur France-Lanord, Hadrien Vroylandt, Mathieu Salanne, Benjamin Rotenberg, A. Marco Saitta, Fabio Pietrucci
Published in: Journal of Chemical Theory and Computation, Issue 20, 2024, Page(s) 3069-3084, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.4c00123

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

Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchange

Author(s): Jeongmin Kim, Benjamin Rotenberg
Published in: The Journal of Chemical Physics, Issue 161, 2024, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0220913

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

Stochastic Density Functional Theory for Ions in a Polar Solvent

Author(s): Pierre Illien, Antoine Carof, Benjamin Rotenberg
Published in: Physical Review Letters, Issue 133, 2025, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.133.268002

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

Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes

Author(s): Giovanni Pireddu, Connie Fairchild, Samuel Niblett, Stephen J. Cox, Benjamin Rotenberg
Published in: Proceedings of the National Academy of Sciences, 2023, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.26434/chemrxiv-2023-2ccrw

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