This dataset includes the basic simulation scripts needed in order to reproduce the data shown in "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces".
The folder structure corresponds to the individual parts of the paper, more detail is given in the individual README.md files:
2dlayer: Simulation input for the 2D ionic crystal employed for the simulations of Figs. 2 and 3.
Capacitance: Simulation input for capacitor setups (Fig. 4).
DCM: Simulation input for the dual coexistence method (DCM) measurements for Fig. 5.
surften: Basic simulation scripts for the surface tension measurements invoked in Figs. 5 & 6 and Supplementary Fig. 1.
All simulation scripts use the real units setting of LAMMPS, see https://docs.lammps.org/units.html for details.
