Molecular Dynamics Simulations of Ion Transport in Ionophilic Nanopores — Neutral and Charged Systems
This dataset contains all input files, simulation results, and a master data table from molecular dynamics (MD) simulations of ion transport in electrolyte-filled slit nanopores, performed with GROMACS version 2024.2. Both charge-neutral and surface-charged pore systems are included. The associated publication is: "Int...