Molecular dynamics simulation data for: Tailoring Energy Landscapes for Vehicular Transport in Single-Ion Conducting Organo Ionic Solids

Classical molecular-dynamics and metadynamics simulation inputs and data for the study of sodium-ion (Na+) conductivity in glyme-based single-ion ORION conductors, accompanying "Tailoring Energy Landscapes for Vehicular Transport in Single-Ion Conducting Organo Ionic Solids." Includes LAMMPS inputs/data files and AMBER/GAFF2 force-field parameters for glyme:tetramer ratios (8:1, 6:1, 4:1, 2:1) at 25, 60, and 100 C, plus COLVARS metadynamics free-energy calculations. Mirror of https://github.com/atlas-nano/manuscript-data/tree/main/na-orion-conductor .