Scientific Discovery Framework Accelerating Advanced Polymeric Materials Design  

作　　者：Ran Wang Teng Fu Ya-Jie Yang Xuan Song Xiu-Li Wang Yu-Zhong Wang 

机构地区：[1]The Collaborative Innovation Center for Eco-Friendly and Fire-Safety Polymeric Materials (MoE),National Engineering Laboratory of Eco-Friendly Polymeric Materials (Sichuan),State Key Laboratory of Polymer Materials Engineering,College of Chemistry,Sichuan University,Chengdu 610064,China

出　　处：《Research》2025年第1期606-617,共12页研究(英文)

基　　金：supported by the National Natural Science Foundation of China(51991351,51827803,52103122,and 22375138);the Institutional Research Fund from Sichuan University(no.2021SCUNL201);the Fundamental Research Funds for the Central Universities,and the 111 project(B20001).

摘　　要：Organic polymer materials,as the most abundantly produced materials,possess a flammable nature,making them potential hazards to human casualties and property losses.Target polymer design is still hindered due to the lack of a scientific foundation.Herein,we present a robust,generalizable,yet intelligent polymer discovery framework,which synergizes diverse capabilities,including the in situ burning analyzer,virtual reaction generator,and material genomic model,to achieve results that surpass the sum of individual parts.Notably,the high-throughput analyzer created for the first time,grounded in multiple spectroscopic principles,enables in situ capturing of massive combustion intermediates;then,the created realistic apparatus transforming to the virtual reaction generator acquires exponentially more intermediate information;further,the proposed feature engineering tool,which embedded both polymer hierarchical structures and massive intermediate data,develops the generalizable genomic model with excellent universality(adapting over 20 kinds of polymers)and high accuracy(88.8%),succeeding discovering series of novel polymers.This emerging approach addresses the target polymer design for flame-retardant application and underscores a pivotal role in accelerating polymeric materials discovery.

关 键 词：organic polymer materialsas material genomic modelto polymer design scientific foundationhereinwe scientific discovery framework polymer discovery frameworkwhich synergizes diverse capabilitiesincluding 

分 类 号：TQ317[化学工程—高聚物工业]