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Likely candidates for the global potential energy minima of (H$_{2}$O)$_{n}$clusters with $n\leq21$ on the (0001)-surface of graphite are found usingbasin-hopping global optimization. The potential energy surfaces areconstructed using the TIP4P intermolecular potentials for the water molecules(the TIP3P is also explored as a secondary choice), a Lennard-Joneswater-graphite potential, and a water-graphite polarization potential that isbuilt from classical electrostatic image methods and takes into account boththe perpendicular and parallel electric polarizations of graphite. Thispotential energy surface produces a rather hydrophobic water-graphiteinteraction. As a consequence, the water component of the lowestgraphite-(H$_{2}$O)$_{n}$ minima is quite closely related to low-lying minimaof the corresponding TIP4P (H$_{2}$O)$_{n}$ clusters. In about half of thecases the geometrical substructure of the water molecules in thegraphite-(H$_{2}$O)$_{n}$ global minimum coincides with that of thecorresponding free water cluster. Exceptions occur when the interaction withgraphite induces a change in geometry. A comparison of our results withavailable theoretical and experimental data is performed.

Global Potential Energy Minima of (H$_{2}$O)$_{n}$ Clusters on Graphite