A comparison of the results from two formulations, the finite element method (FEM) and the fast Fourier transform-based (FFT) method, was carried out in terms of the prediction of elastic response under thermal loading on the digital polycrystalline materials. In order to validate both methods, the thermoelastic response of heterogeneous material, predicted by each method, is validated against the Eshelby's analytical solution of inclusion problem. Similarity and discrepancy of the elastic responses from both methods were examined. Based on the validation, the thermoelastic response of three-dimensional polycrystalline material is then predicted using both methods. Especially, the extreme values in hot spots in stress, strain and elastic energy density (EED) were spatially examined to verify the similarities and distinctiveness of both simulation methods.