All the DFT-MD simulations were performed using the Vienna Ab initio Simulation Package (VASP). The one electron bands were expanded in a plane wave basis with a cutoff energy of 400 eV. The electronic cores were described by the projector augmented wave (PAW) method. The energy convergence criterion was set to 10 -6 eV. To accurately model both the metal and the liquid systems the exchange-correlation energies were evaluated using the revised Perdew-Burke-Ernzerhof (RPBE) functional with the semi-empirical D3 dispersion correction scheme of Grimme using the zero-damping function. The pair-interaction cutoff radius of the D3 correction was set to 10 Å. The dispersion correction for all metal atoms below the first layer was excluded since the screening of the van der Waals interactions in bulk metals is not correctly described in dispersion correction schemes. The spurious dipole interactions between periodic images were removed by using the dipole correction in the z-direction. Due to the large unit cell sizes, only the Γ point was used for the k-point sampling in the simulations of interface, slab, and bulk models. However, to obtain the lattice constant for each metal, the optimizations were performed using a single atom in its FCC bulk geometry and using a fine k-point grid of 21 × 21 × 21.