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List of works by Laura Scalfi

A molecular perspective on induced charges on a metallic surface

scientific article published on 28 November 2021

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

scientific article published on 01 November 2020

Charge fluctuations from molecular simulations in the constant-potential ensemble

scientific article published on 07 January 2020

Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor system.

scientific article published on 3 October 2016

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

scientific article published on 26 July 2021

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

scientific article published on 6 September 2022

Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene

scientific article published on 2 November 2023

Force field for halide and alkali ions in water based on single-ion and ion-pair thermodynamic properties for a wide range of concentrations

scientific article published on 19 August 2024

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

scientific article published on 15 May 2023

Generalized Langevin equation with a nonlinear potential of mean force and nonlinear memory friction from a hybrid projection scheme

scientific article published on 24 May 2022

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

scientific article published on 15 May 2020

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

scientific article published on 8 November 2022

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

scientific article published on 14 December 2021

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

scientific article published on 18 March 2021

Propensity of hydroxide and hydronium ions for the air–water and graphene–water interfaces from ab initio and force field simulations

scientific article published on 8 October 2024

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

scientific article published on 31 May 2023

Structure and Dynamics of Water Confined in Imogolite Nanotubes

scientific article published on 31 May 2018