EXTENDED ABSTRACT: Polymer show excellent performance with the high structural design ability, and play an indispensable role in many key fields such as medical health, aerospace, energy, etc. However, the extreme complexity of polymer structure, including polymerization order, degree of polymerization and its distribution, conformation and architecture of macromolecule, stacking mode of molecular chains, etc., brings great challenges to research and development. In recent years, with the rise of artiffcial intelligence (AI for Science), digital intelligence technology has gradually become a crucial force to promote the research and development of materials. In the ffeld of polymer science, digital intelligence technology can deeply reveal the structure-performance relationship of polymers and promote the R&D process to grow to a reasonable and efffcient direction. However, the scarcity and dispersion of polymer data restrict its application. Therefore, using simulation to assist R&D has become the most direct and effective way of empowering digital intelligence. Based on this, this report ffrstly summarizes the development prospect of polymer simulation. In the second part, we share the progress made by internationally renowned chemical and new materials enterprises (such as TOYOBO of Japan, Goodyear of the United States, BASF of Germany, etc.) in the ffeld of polymer simulation. In the aspect of performance prediction, the main points of polymer simulation are expounded by taking refractive index and glass transition temperature as examples. Finally, based on the actual demand of industry, this report puts forward the requirements and challenges faced by enterprises in simulation. At the same time, combined with the pain points existing in the research and development mode of materials, the future development direction of simulation is prospected, aiming at providing valuable reference and enlightenment for the digital and intelligent research and development of polymer materials.

Keywords: polymer; simulation; digital intelligence technology;