2 papers
physics.chem-ph2025
Ions at electrochemical interfaces: from explicit to implicit molecular solvent descriptions
Swetha Nair, Guillaume Jeanmairet, Benjamin Rotenberg
We investigate the interplay between electronic screening inside a metal and screening by a polar molecular solvent, focusing on their impact on the charge induced by an ion and th…
physics.comp-ph2024
Induced charges in a Thomas-Fermi metal: insights from molecular simulations
Swetha Nair, Giovanni Pireddu, Benjamin Rotenberg
We study the charge induced in a Thomas-Fermi metal by an ion in vacuum, using an atomistic description employed in constant-potential molecular dynamics simulations, and compare t…