Simulation input scripts for "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces"

<p>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".</p> <p>The folder structure corresponds to the individual parts of the paper, more detail is given in the individual README.md files:</p> <ul> <li>2dlayer: Simulation input for the 2D ionic crystal employed for the simulations of Figs. 2 and 3.</li> <li>Capacitance: Simulation input for capacitor setups (Fig. 4).</li> <li>DCM: Simulation input for the dual coexistence method (DCM) measurements for Fig. 5.</li> <li>surften: Basic simulation scripts for the surface tension measurements invoked in Figs. 5 & 6 and Supplementary Fig. 1.</li> </ul> <p>All simulation scripts use the `real` units setting of LAMMPS, see <a href="https://docs.lammps.org/units.html for details">https://docs.lammps.org/units.html for details</a>.</p>