Shan Tang

Prof. Dr. Shan Tang


Research Focus & Metrics

Academic Career Length

21Years (2006-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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8 January 2020 in Polymers
Verified
Journal Article
Open access
PDF file
GCGuang Chen
Guang Chen
Zhiqiang ShenZhiqiang Shen
Zhiqiang Shen
AIAkshay Iyer
Akshay Iyer
UGUmar Farooq Ghumman
Umar Farooq Ghumman
STShan Tang
Shan Tang
Ying LiYing Li
Ying Li
Organic molecules and polymers have a broad range of applications in biomedical, chemical, and materials science fields. Traditional design approaches for organic molecules and polymers are mainly experimentally-driven, guided by experience, intuition, and conceptual insights. Though they have been successfully applied to discover many important materials, these methods are facing significant challenges due to the tremendous demand of new materials and vast design space of organic molecules and polymers. Accelerated and inverse materials design is an ideal solution to these challenges. With advancements in high-throughput computation, artificial intelligence (especially machining learning, ML), and the growth of materials databases, ML-assisted materials design is emerging as a promising tool to flourish breakthroughs in many areas of materials science and engineering. To date, using ML-assisted approaches, the quantitative structure property/activity relation for material property prediction can be established more accurately and efficiently. In addition, materials design can be revolutionized and accelerated much faster than ever, through ML-enabled molecular generation and inverse molecular design. In this perspective, we review the recent progresses in ML-guided design of organic molecules and polymers, highlight several successful examples, and examine future opportunities in biomedical, chemical, and materials science fields. We further discuss the relevant challenges to solve in order to fully realize the potential of ML-assisted materials design for organic molecules and polymers. In particular, this study summarizes publicly available materials databases, feature representations for organic molecules, open-source tools for feature generation, methods for molecular generation, and ML models for prediction of material properties, which serve as a tutorial for researchers who have little experience with ML before and want to apply ML for various applications. Last but not least, it draws insights into the current limitations of ML-guided design of organic molecules and polymers. We anticipate that ML-assisted materials design for organic molecules and polymers will be the driving force in the near future, to meet the tremendous demand of new materials with tailored properties in different fields.

30 September 2019 in Advanced Materials
Verified
Journal Article
Closed access
PDF file
JZJie Zou
Jie Zou
SWShuangquan Wu
Shuangquan Wu
JCJie Chen
Jie Chen
XLXiaojuan Lei
Xiaojuan Lei
QLQihua Li
Qihua Li
DYDongdong Ye
Dongdong Ye

22 May 2019 in Computational Mechanics
Verified
Journal Article
Closed access
PDF file
HYHang Yang
Hang Yang
XGXu Guo
Xu Guo
STShan Tang
Shan Tang
WLWing Kam Liu
Wing Kam Liu


17 May 2022 in Journal of Applied Mechanics
Verified
Journal Article
Closed access
PDF file
JPJianjun Peng
Jianjun Peng
NSNingning Song
Ningning Song
FLFei Li
Fei Li
STShan Tang
Shan Tang

7 October 2014 in Materials Characterization
Verified
Journal Article
Closed access
SZS. Zhu
S. Zhu
MYM. Yang
M. Yang
XSX.L. Song
X.L. Song
STShan Tang
Shan Tang
ZXZ.D. Xiang
Z.D. Xiang