most citedGrand-canonical molecular dynamics simulations powered by a hybrid 4D nonequilibrium MD/MC method: Implementation in LAMMPS and applications to electrolyte solutions

8 citations · 10 across the 4 of their papers we have counts for

collaborators
Showing physics.comp-phShow all

2 papers · 1 filter

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…

physics.comp-ph2023★ 1 cited

RevelsMD: Reduced Variance Estimators of the Local Structure in Molecular Dynamics

Samuel W. Coles, Benjamin J. Morgan, Benjamin Rotenberg

RevelsMD is a new open source Python library, which uses reduced variance force sampling based estimators to calculate 3D particle densities and radial distribution functions from…