Analysis and evaluation of machine learning applications in materials design and discovery

被引:15
|
作者
Golmohammadi, Mahsa [1 ]
Aryanpour, Masoud [2 ]
机构
[1] Amirkabir Univ Technol, Dept Polymer & Color Engn, Tehran, Iran
[2] Sharif Univ Technol, Dept Mech Engn, Tehran, Iran
来源
MATERIALS TODAY COMMUNICATIONS | 2023年 / 35卷
关键词
Machine learning; Data mining; Materials discovery; Computational chemistry; TRANSITION-METAL DICHALCOGENIDES; ARTIFICIAL-INTELLIGENCE; ACCELERATED DISCOVERY; MECHANICAL-PROPERTIES; STRUCTURAL FEATURES; ORGANIC FRAMEWORKS; RECENT PROGRESS; SOLAR-CELLS; BIG DATA; PREDICTION;
D O I
10.1016/j.mtcomm.2023.105494
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Machine Learning (ML) appears to have become the main and foremost approach to both tackle the hurdles and exploit the opportunities of The Information Age. We present our analytical review of the past years applications of the developed ML models in Materials Science. We begin our analysis by highlighting the similarities and the basic difference between Machine Learning and Screening approaches, and focus our work on direct ML applications only. The general ML procedure to develop a successful ML model for materials is illustrated and explained. We also present charts and tables summarizing the relevant literature works into categories based on ML techniques, materials classes, and materials predicted properties. Details and reasons of the most successful applications are explored and discussed based on sample cases. The information, data, and suggested guidelines in this work would be useful to interested researchers in the field of Materials Science.
引用
收藏
页数:15
相关论文
共 50 条
  • [1] Machine Learning for the Discovery, Design, and Engineering of Materials
    Duan, Chenru
    Nandy, Aditya
    Kulik, Heather J.
    ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, 2022, 13 : 405 - 429
  • [2] Machine learning accelerates the materials discovery
    Fang, Jiheng
    Xie, Ming
    He, Xingqun
    Zhang, Jiming
    Hu, Jieqiong
    Chen, Yongtai
    Yang, Youcai
    Jin, Qinglin
    MATERIALS TODAY COMMUNICATIONS, 2022, 33
  • [3] Machine learning approaches and their applications in drug discovery and design
    Priya, Sonal
    Tripathi, Garima
    Singh, Dev Bukhsh
    Jain, Priyanka
    Kumar, Abhijeet
    CHEMICAL BIOLOGY & DRUG DESIGN, 2022, 100 (01) : 136 - 153
  • [4] Materials Discovery With Machine Learning and Knowledge Discovery
    Oliveira Jr, Osvaldo N.
    Oliveira, Maria Cristina F.
    FRONTIERS IN CHEMISTRY, 2022, 10
  • [5] Machine learning accelerates the materials discovery
    Fang, Jiheng
    Xie, Ming
    He, Xingqun
    Zhang, Jiming
    Hu, Jieqiong
    Chen, Yongtai
    Yang, Youcai
    Jin, Qinglin
    MATERIALS TODAY COMMUNICATIONS, 2022, 33
  • [6] Discovery of novel materials through machine learning
    Akinpelu, Akinwumi
    Bhullar, Mangladeep
    Yao, Yansun
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2024, 36 (45)
  • [7] New Opportunity: Machine Learning for Polymer Materials Design and Discovery
    Xu, Pengcheng
    Chen, Huimin
    Li, Minjie
    Lu, Wencong
    ADVANCED THEORY AND SIMULATIONS, 2022, 5 (05)
  • [8] Materials discovery and design using machine learning
    Liu, Yue
    Zhao, Tianlu
    Ju, Wangwei
    Shi, Siqi
    JOURNAL OF MATERIOMICS, 2017, 3 (03) : 159 - 177
  • [9] Machine Learning Boosts the Design and Discovery of Nanomaterials
    Jia, Yuying
    Hou, Xuan
    Wang, Zhongwei
    Hu, Xiangang
    ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2021, 9 (18) : 6130 - 6147
  • [10] Machine learning applications in designing cementitious materials
    Dang, Shichen
    Fang, Hu
    Yao, Yao
    AUTOMATION IN CONSTRUCTION, 2025, 174