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Structure and Dynamics of Water Confined in Imogolite Nanotubes
Laura Scalfi
,
Guillaume Fraux
,
Anne Boutin
,
François-Xavier Coudert
Journal articles
hal-02105073v1
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Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor–acceptor system
Jacob Spencer
,
Laura Scalfi
,
Antoine Carof
,
Jochen Blumberger
Journal articles
hal-03221057v1
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Molecular Simulation of Electrode-Solution Interfaces
Laura Scalfi
,
Mathieu Salanne
,
Benjamin Rotenberg
Journal articles
hal-03212310v1
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Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces
Philip Loche
,
Laura Scalfi
,
Mustakim Ali Amu
,
Otto Schullian
,
Douwe Bonthuis
et al.
Journal articles
hal-03798804v1
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MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes
Alessandro Coretti
,
Camille Bacon
,
Roxanne Berthin
,
Alessandra Serva
,
Laura Scalfi
et al.
Journal articles
hal-03843736v1
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Effect of the metallicity on the capacitance of gold–aqueous sodium chloride interfaces
Alessandra Serva
,
Laura Scalfi
,
Benjamin Rotenberg
,
Mathieu Salanne
Journal articles
hal-03329773v1
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On the Gibbs-Thomson equation for the crystallization of confined fluids
Laura Scalfi
,
Benoit Coasne
,
Benjamin Rotenberg
Journal articles
hal-03174276v1
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NMR relaxation rates of quadrupolar aqueous ions from classical molecular dynamics using force-field specific Sternheimer factors
Iurii Chubak
,
Laura Scalfi
,
Antoine Carof
,
Benjamin Rotenberg
Journal articles
hal-03366324v1
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Microscopic origin of the effect of substrate metallicity on interfacial free energies
Laura Scalfi
,
Benjamin Rotenberg
Proceedings of the National Academy of Sciences of the United States of America, 2021, 118 (50), pp.e2108769118. ⟨10.1073/pnas.2108769118⟩
Journal articles
hal-03477956v1
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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
et al.
Journal articles
hal-02975415v1
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A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations
Laura Scalfi
,
Thomas Dufils
,
Kyle G Reeves
,
Benjamin Rotenberg
,
Mathieu Salanne
et al.
Journal articles
hal-02988148v1
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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.
Journal articles
hal-02869879v1
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A molecular perspective on induced charges on a metallic surface
Giovanni Pireddu
,
Laura Scalfi
,
Benjamin Rotenberg
Journal articles
hal-03472876v1
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