First principles molecular dynamics simulations are used to model the gas phase collision of methanol and copper cluster. These simulations are preformed using the CASTEP software, a first principles simulation code. The computational details include (1) a plane-wave basis to represent the wavefunctions, (2) pseudopotentials replacing the ionic cores, (3) the use of fast-Fourier transforms (FFT's), and (4) density functional theory-molecular dynamics. In the all calculations, the exchange-correlation energy is determined using the generalized gradient approximation (GGA-PW91). Ionic cores are described by ultrasoft pseudopotentials and the Kohn-Sham one electron valence states are expanded in a basis of plane waves with kinetic energies below 300 eV. The surface Brillouin zone is sampled at k point density equal to 0.05 Å^-1. Methanol molecules are deposited on Cu_n clusters, where n=2 to 9, with incident energies of 0.5 eV/molecule.