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Physical Chemistry Chemical Physics : PCCP|January 8, 2020
Charge fluctuations from molecular simulations in the constant-potential ensembleLaura Scalfi, David T Limmer, Alessandro Coretti, et al.
The Journal of Chemical Physics|September 8, 2022
Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfacesPhilip Loche, Laura Scalfi, Mustakim Ali Amu, et al.
The Journal of Chemical Physics|October 23, 2020
Use the force! Reduced variance estimators for densities, radial distribution functions, and local mobilities in molecular simulationsBenjamin Rotenberg
The Journal of Chemical Physics|November 15, 2022
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodesAlessandro Coretti, Camille Bacon, Roxanne Berthin, et al.
Physical Review. E|February 23, 2022
Quasiequilibrium multistate cellular automataFederico G Pazzona, Giovanni Pireddu, Pierfranco Demontis
Physical Chemistry Chemical Physics : PCCP|May 7, 2026
Modeling fission product nucleation in molten NaCl using universal machine-learning potentialsAgustin Salcedo, Giovanni Pireddu, Mathieu Salanne, et al.
The Journal of Chemical Physics|August 1, 2024
Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchangeJeongmin Kim, Benjamin Rotenberg
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 10, 2006
Second-order lattice Fokker-Planck algorithm from the trapezoidal ruleBenjamin Rotenberg, Daniele Moroni
The Journal of Physical Chemistry Letters|January 2, 2016
Structural Transitions at Ionic Liquid InterfacesBenjamin Rotenberg, Mathieu Salanne
The Journal of Chemical Physics|August 6, 2020
Sampling mobility profiles of confined fluids with equilibrium molecular dynamics simulationsEtienne Mangaud, Benjamin Rotenberg
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