Surface self‐diffusion constants for the face-centered cubic (100) Lennard–Jones system were calculated using classical molecular dynamics methods. Self‐diffusion Arrhenius parameters, calculated using pair potentials derived from bulk thermodynamic data, were found to be in good agreement with reported Rh(100) experimental values.Theoretical Studies of Surface Diffusion: Self-Diffusion in the FCC(100) System. McDowell, H.K., Doll, J.D.: Journal of Chemical Physics, 1983, 78, 3219