Articles by Laura Scalfi | Synthical

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Articles by Laura Scalfi | Synthical

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Laura Scalfi

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14

Effect of Frequency-Dependent Viscosity on Molecular Friction in Liquids

22 August 2024 by Henrik Kiefer and others

Soft Condensed Matter, Fluid Dynamics

Single Atom Catalysis in aqueous conditions: enhanced interfacial water dissociation on a Fe-porphyrin graphene defect

31 May 2023 by Laura Scalfi and others at

Ecole Normale Supérieure de Paris

Catalysis, Computational Chemistry and Modeling

Frequency-dependent hydrodynamic finite size correction in molecular simulations reveals the long-time hydrodynamic tail

17 February 2023 by Laura Scalfi and others

Soft Condensed Matter, Computational Physics

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

7 June 2022 by Alessandro Coretti and others at

University of Vienna

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

A molecular perspective on induced charges on a metallic surface

21 October 2021 by Giovanni Pireddu and others

Chemical Physics

NMR relaxation rates of quadrupolar aqueous ions from classical molecular dynamics using force-field specific Sternheimer factors

24 September 2021 by Iurii Chubak and others

Chemical Physics, Soft Condensed Matter

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

14 June 2021 by Alessandra Serva and others

Materials Science, Chemical Physics

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

14 May 2021 by Laura Scalfi and Benjamin Rotenberg

Chemical Physics, Statistical Mechanics

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

7 April 2021 by Laura Scalfi and others at

Sorbonne Université

Chemical Physics

A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations

2 September 2020 by Laura Scalfi and others

Materials Science

Molecular Simulation of Electrode-Solution Interfaces

27 August 2020 by Laura Scalfi and others

Computational Physics, Soft Condensed Matter

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

2 June 2020 by Abel Marin-Laflèche and others at

Sorbonne Université

Computational Chemistry and Modeling

Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems

10 March 2020 by Alessandro Coretti and others

Statistical Mechanics, Chemical Physics

Charge fluctuations from molecular simulations in the constant-potential ensemble

21 November 2019 by Laura Scalfi and others

Statistical Mechanics, Chemical Physics

Structure and Dynamics of Water Confined in Imogolite Nanotubes

21 May 2018 by Laura Scalfi and others

Interfaces, Computational Chemistry and Modeling

Topics

Chemical Physics Computational Chemistry and Modeling Soft Condensed Matter Computational Physics Statistical Mechanics Theoretical and Computational Chemistry Interfaces Materials Science Catalysis Physical Chemistry Heterogeneous Catalysis Theory Nanostructured Materials