Research Progress and Development of Computational Materials Science for the Polymeric Materials

With the development of science and technology, the improvement of computer software/hardware technology has greatly enhanced the efficiency of large-scale parallel computing, enabling scientists to use a large amount of computing power to analyze the operating mechanism of high-degree-of-freedom systems in a relatively inexpensive way, and to design new material structures and properties. Wherein, as the core of the data-driven-research system of Materials Genome Engineering (MG), the Computational Materials Science has made great contribution to the development of novel polymeric materials that were driven by data. This paper reviews the research of polymeric materials based on domestic and foreign scholars borrowing from Materials Genome Initiative (MGI) ideas since the release of the MGI plan in 2011, including elastomeric materials, energy polymeric materials, optical polymeric materials, thermal conductive polymeric materials and biomedical polymeric materials. At the same time, this review puts forward the future development prospects of Computation Materials Science and the challenges it faces to provide basis and guidance for the development of polymeric disciplines. [GRAPHICS] .

Automated summary

With the advancement of science and technology, computer software/hardware technology has significantly improved the efficiency of large-scale parallel computing, allowing scientists to analyze high-degree-of-freedom systems and design new materials structures and properties at a relatively low cost. Computational Materials Science, as the core of Materials Genome Engineering, has played a crucial role in the research of polymeric materials, such as elastomers, energy materials, optical materials, thermal conductive materials, and biomedical materials. This review also presents future development prospects and challenges in the field, providing a basis and guidance for the development of polymeric disciplines.