Polymer Informatics: Opportunities and Challenges

被引:216
|
作者
Audus, Debra J. [1 ]
de Pablo, Juan J. [2 ,3 ]
机构
[1] NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA
[2] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA
[3] Univ Chicago, Computat Inst, Chicago, IL 60637 USA
关键词
MATERIALS SCIENCE;
D O I
10.1021/acsmacrolett.7b00228
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
We are entering an era where large volumes of scientific data, coupled with algorithmic and computational advances, can reduce both the time and cost of developing new materials. This emerging field known as materials informatics has gained acceptance for a number of classes of materials, including metals and oxides. In the particular case of polymer science, however, there are important challenges that must be addressed before one can start to deploy advanced machine learning approaches for designing new materials. These challenges are primarily related to the manner in which polymeric systems and their properties are reported. In this viewpoint, we discuss the opportunities and challenges for making materials informatics as applied to polymers, or equivalently polymer informatics, a reality.
引用
收藏
页码:1078 / 1082
页数:5
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