Laura Scalfi

8PUBLICATIONS
19CO-AUTHORS
Chemical thermodynamics and energeticsElectrostatics and electrodynamicsMain group metal chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Electrochemistry
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Publications (8)

|Oct 08, 2024
Propensity of hydroxide and hydronium ions for the air-water and graphene-water interfaces from ab initio and force field simulations.

Laura Scalfi, Louis Lehmann, Alexandre P Dos Santos

|Aug 19, 2024
Force field for halide and alkali ions in water based on single-ion and ion-pair thermodynamic properties for a wide range of concentrations.

Maria Duenas-Herrera, Douwe Jan Bonthuis, Philip Loche

|Nov 03, 2023
Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene.

Laura Scalfi, Maximilian R Becker, Roland R Netz

|May 15, 2023
Frequency-dependent hydrodynamic finite size correction in molecular simulations reveals the long-time hydrodynamic tail.

Laura Scalfi, Domenico Vitali, Henrik Kiefer

|Nov 15, 2022
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes.

Alessandro Coretti, Camille Bacon, Roxanne Berthin

|Sep 08, 2022
Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces.

Philip Loche, Laura Scalfi, Mustakim Ali Amu

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Frequent Collaborators

5 joint publications

Roland R Netz

4 joint publications

Benjamin Rotenberg

2 joint publications

Alessandro Coretti

2 joint publications

Sara Bonella