A finite element simulation of the anomalous out‐diffusion of Mn in GaAs employing an interstitial‐substitutional model combined with defect‐chemical kinetics has been performed. The major species considered were Ga vacancies (VGa ), Mn substitutionals (MnGa), and interstitials (Mni) augmented by shallow donors (DAs ) and Ga vacancy‐donor pairs (VGa‐DAs). Mathematically, the model can be represented by two ordinary differential equations which are the kinetic relations describing the formation of MnGa and VGa‐DAs coupled with three partial differential equations, including sink and source terms, for the diffusion of VGa, Mni, and DAs . The analysis required advanced numerical techniques using dynamic spatial and time meshes. We have achieved a very good theoretical description of Mn out‐diffusion data for both 90 min and 24 h annealing cycles up to a depth of 0.5 μm from the surface [P.B. Klein, P. R. Nordquist, and P. G. Siebenmann, J. Appl. Phys. 51, 4861 (1980)]. Moreover, eventual depletion of the Mn contamination has been demonstrated. However, an inflection beyond 0.5 μm observed in the experimental results cannot be explained by the present treatment.