Background: High temperature resistant polymers and their composites have been widely used in the aerospace, information, and electronics industries. With the development of modern industry, various high-temperature resistant polymers have been developed and can be used for a long time at high temperatures. New heat-resistant polymers are expected to have excellent thermal stability and processing performance. However, the high-temperature resistance of polymers is often accompanied by poor processing characteristics, such as extremely high curing temperature and high curing enthalpy. For example, polyimide and phthalonitrile resin are two common heat-resistant polymers that face a series of problems during the processing. The contradiction between high temperature resistance and excellent processing performance makes the exploration and development of new heat-resistant polymer materials a long-term challenge.   

The traditional research methods based on scientific experience and trial and error experiments are constrained by comprehensive factors such as high cost and long time consumption. Therefore, providing a new research method for the design of new materials is of great significance for the more effective and economical development of advanced materials. The material genome method based on computation, experimentation, and database search can accelerate the development of advanced materials. Recently, the material genome method has been used to develop a range of advanced materials, including new alloys and inorganic materials. However, developing a genomic approach for polymer materials is a challenging task, as the enormous and complex chemical structure and morphology of polymers pose significant obstacles to the development of new polymers.

Junli Zhu et al. from East China University of Science and Technology have developed a material genome method to design new heat-resistant resins with the required properties. By defining genes and extracting key features, a two-step method is used to screen candidate resins obtained from gene combinations. Afterwards, a new type of heat-resistant resin was quickly screened and predicted, and further verified through theoretical simulation and experimental research. Provide a basic framework for the development of existing material genome methods, which can be extended to the rapid design of other high-performance materials. His research findings are published in Chemistry of Materials.