As illustrated in Figure , two different system geometries are considered for the implementation of AdSoS, namely slab and radial (spherical) geometries. Both involve a computational box simulated under periodic boundary conditions. For simplicity, the discussion is restricted here to a rectangular box for the slab geometry and to a cubic box for the spherical geometry. The three Cartesian directions α = x, y, z are associated with unit vectors e e e α and box-edge lengths L α . In slab geometry, the special direction is the z-direction. In spherical geometry, the edge length of the cubic box is denoted L.