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 · 8 across the 1 of their papers we have counts for

collaborators

1 paper

physics.chem-ph2023★ 8 cited

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

Jeongmi Kim, Luc Belloni, Benjamin Rotenberg

Molecular simulations in an open environment, involving ion exchange, are necessary to study various systems, from biosystems to confined electrolytes. However, grand-canonical sim…