Large scsle quantum simulations: C60 Impacts on a semiconducting surface.

We present tight binding molecular dynamics simulations of C60 collisions on the reconstructed diamond(111) surface, carried out with an O(N) method and with cells containing 1140 atoms. The results of our simulations are in very good agreement with experiments performed under the same impact conditions. Furthermore our calculations provide a detailed characterization of the microscopic processes occuring during the collision, and allow the identification of three impact regimes, as a function of the fullerene incident energy. Finally, the study of the reactivity between the cluster and the surface gives insight into the deposition mechanisms of C60 on semiconducting substrates. 79.20.Rf,71.20.Ad,68.10.Jy Typeset using REVTEX