A molecular dynamics (MD) simulation has been carried out to investigate the morphology and structure of monolayer and multilayer of chiral molecule N-stearoy-L-glutamic acid (C-18-L-Glu) self-assembled on a mica surface. Energy changes during the MD run have been analyzed. The results show that hydrogen-bonding effects are the major driving forces in the layer formation of C-18-L-Glu on a mica surface. On the basis of the simulation results, we proposed a multilayered model for the self-assembling of C-18-L-Glu on a mica surface.