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MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

Abel Marin-Laflèche, Matthieu Haefele, Laura Scalfi, Alessandro Coretti, Thomas Dufils, Guillaume Jeanmairet, Stewart Reed, Alessandra Serva, Roxanne Berthin, Camille Bacon, Sara Bonella, Benjamin Rotenberg, Paul Anthony Madden, Mathieu Salanne

Version 1 posted 02 June 2020

851

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1

Citations

Inorganic Chemistry

Working Paper

The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water vs. Coordinating Water

Nicolas Dubouis, Alessandra Serva, Elodie Salager, Michael Deschamps, Mathieu Salanne, Alexis Grimaud

Version 2 posted 05 November 2018

1,131

Downloads

Energy

Working Paper

Nanostructural Organization in a Biredox Ionic Liquid

Roxanne Berthin, Alessandra Serva, Olivier Fontaine, Mathieu Salanne

Version 1 posted 03 November 2022

159

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Catalysis

Working Paper

The role of hydrophobic hydration in the free energy of chemical reactions at the gold/water interface: size and position effects

Alessandra Serva, Martina Havenith, Simone Pezzotti

Version 1 posted 31 August 2021

306

Downloads

Physical Chemistry

Working Paper

Solvation of anthraquinone and Tempo redox-active species in acetonitrile using a polarizable force field

Roxanne Berthin, Alessandra Serva, Kyle Reeves, Esther Heid, Christian Schroeder, Mathieu Salanne

Version 1 posted 29 June 2021

365

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Theoretical and Computational Chemistry

Working Paper

Electron Transfer of Functionalised Quinones in Acetonitrile

Tzu-Yao Hsu, Roxanne Berthin, Alessandra Serva, Kyle Reeves, Mathieu Salanne, Guillaume Jeanmairet

Version 1 posted 13 June 2022

195

Downloads

Physical Chemistry

Working Paper

Speciation of the proton in water-in-salt electrolytes

Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne

Version 1 posted 21 February 2024

155

Downloads

Energy

Working Paper

On the key role of electrolyte-electrode van der Waals interactions in the simulation of ionic liquids-based supercapacitors

Camille Bacon, Alessandra Serva, Celine Merlet, Patrice Simon, Mathieu Salanne

Version 1 posted 20 December 2022

354

Downloads

Catalysis

Working Paper

S.O.S: shape, orientation and size tune solvation in electrocatalysis

alessandra serva, Simone Pezzotti

Version 1 posted 26 December 2023

180

Downloads

Theoretical and Computational Chemistry

Working Paper

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

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

Version 1 posted 07 June 2022

429

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15 results in Alessandra Serva in Authors: Alessandra Serva

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water vs. Coordinating Water

Nanostructural Organization in a Biredox Ionic Liquid

The role of hydrophobic hydration in the free energy of chemical reactions at the gold/water interface: size and position effects

Solvation of anthraquinone and Tempo redox-active species in acetonitrile using a polarizable force field

Electron Transfer of Functionalised Quinones in Acetonitrile

Speciation of the proton in water-in-salt electrolytes

On the key role of electrolyte-electrode van der Waals interactions in the simulation of ionic liquids-based supercapacitors

S.O.S: shape, orientation and size tune solvation in electrocatalysis

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

15 results in Authors: Alessandra Serva