Method for simulating polymer material

A computer implemented method for simulating a polymer material comprises a simulation process in which a molecular dynamics calculation is performed about polymer models and filler models. The simulation process comprises: a first calculation process in which the molecular dynamics calculation is performed under such condition that, between particles of each polymer model, a first coupling potential not limiting the interparticle distance is defined; and a subsequent second calculation process in which the molecular dynamics calculation is performed under such condition that, between the particles of each polymer model, a second coupling potential P2 limiting the maximum allowable interparticle distance to a predetermined value is defined.