These simulations are performed in a cubodial box of dimensions (x -293.76Å, y -293.76Å, z -204Å) with periodic boundary conditions applied in all three directions. The simulation cell consists of a gold slab (thin sheet) wherein the atoms are organized in a FCC lattice with a spacing of 4.08Å. The slab spans x & y box dimensions and has a thickness of ∼ 24.5Å. In the initial state 4435 water molecules are placed near the slab. To evolve the system, Nosé-Hoover thermostatting at 370K is performed separately on the water and gold atoms. After ∼200ps of equilibration, a droplet is formed on the gold surface with a contact angle that varies with the specified ε Au-O . Following the equilibration process, several snapshots of the system are utilized Zoomed-in view of the gold slab with an etched groove.