Recent studies on the crystallization behavior of trans-1,4-polyisoprene (TPI)were summarized,such as the determination of the crystal form, the formation conditions of the crystal form, the thermodynamic and kinetic processes of the crystallization, and the mutuality between the crystal forms. Then this paper highlighted the determination of crystal forms of trans-1,4-polyisoprene (TPI) focused on the molecular chain conformation of α crystal and β crystal, which are trans-CTS-trans-CTS and trans-[AKS-]TS. Researches on the crystallization of molecular simulation in recent years, such as the construction of trans-1,4-polyisoprene (TPI) crystals, the crystallization state of multiphase systems, the related properties of crystals in condensed states, the crystallization processes in complex systems, and the dynamic behavioral simulation of molecular crystallization in dynamic environments were introduced, including the construction of crystal forms, such as the intrinsic relationship between the spatial atomic coordinates of α and β crystals and isotropic, anisotropy.