Artificial intelligence for accelerating polymer design: recent advances and future perspectives

被引：0
|
作者：
Zhou T. [1 ]
Lan X. [1 ,2 ]
Xu C. [1 ,2 ]
机构：
[1] College of Carbon Neutrality Future Technology, China University of Petroleum (Beijing), Beijing
[2] State Key Laboratory of Heavy Oil Processing, China University of Petroleum (Beijing), Beijing
来源：
Huagong Xuebao/CIESC Journal | 2023年 / 74卷 / 01期
关键词：
artificial intelligence; data-driven; inverse design; polymer design; structure-property relationship;
D O I：
10.11949/0438-1157.20221077
中图分类号：
学科分类号：
摘要：
Due to the enormous chemical and configurational space, the optimal design of candidates for the next-generation soft materials is still a challenging task. It is cumbersome to conduct trial-and-error research using high-throughput computations or experiments to evaluate the properties of a large number of materials and select the best candidates for future investigations. Using artificial intelligence approaches in combination with computer simulations and experiments, researchers are able to reliably predict properties of materials over a vast structural and property space, breaking the traditional model of“empirically guided experiments”and gradually overcoming various bottlenecks in the process of the polymer design. This review begins with a historical look at the difficulties in polymer engineering over the preceding decades. The concept of data-driven techniques is then given and examined in detail, along with how they are used in polymer design. The following section highlights some noteworthy developments in identifying novel polymers with specific characteristics using data-driven approaches. In conclusion, this review provides a synopsis of recent tendencies and outlines the opportunities for intelligent design in polymer engineering. Artificial intelligence, rapid computational simulation, and the availability of enormous amounts of open-source homogeneous data combined with experiments will revolutionize polymer research and accelerate the industrial application of designed polymeric materials. Finally, the current industry development trend is summarized, and the large-scale application prospects of intelligent design in the research of new polymers are prospected. © 2023 Chemical Industry Press. All rights reserved.
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页码：14 / 28
页数：14
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