Machine-Learning-Assisted Materials Discovery from Electronic Band Structure

被引：0
|
作者：
Sinha, Prashant [1 ]
Joshi, Ablokit [1 ]
Dey, Rik [2 ]
Misra, Shikhar [1 ]
机构：
[1] Department of Materials Science and Engineering, Indian Institute of Technology Kanpur, Kalyanpur, Uttar Pradesh, Kanpur,208016, India
[2] Department of Electrical Engineering, Indian Institute of Technology Kanpur, Kalyanpur, Uttar Pradesh, Kanpur,208016, India
来源：
Journal of Chemical Information and Modeling | 2024年 / 64卷 / 22期
关键词：
The work was partially supported by the IITK Start-up Fund and SERB SRG/2022/000580;
D O I：
10.1021/acs.jcim.4c01329
中图分类号：
学科分类号：
摘要：
引用
下载
收藏
页码：8404 / 8413
相关论文
共 50 条
  • [21] Machine-learning-assisted selection of antibiotic prescription
    Xavier Didelot
    Koen B. Pouwels
    Nature Medicine, 2019, 25 : 1033 - 1034
  • [22] Machine-Learning-Assisted Synthesis of Polar Racemates
    Nisbet, Matthew L.
    Pendleton, Ian M.
    Nolis, Gene M.
    Griffith, Kent J.
    Schrier, Joshua
    Cabana, Jordi
    Norquist, Alexander J.
    Poeppelmeier, Kenneth R.
    Journal of the American Chemical Society, 2020, 142 (16): : 7555 - 7566
  • [23] Machine-learning-assisted modeling of alloy ordering phenomena at the electronic scale through electronegativity
    Zhao, Dingqi
    Jin, Xi
    Qiao, Junwei
    Zhang, Yong
    Liaw, Peter K.
    APPLIED PHYSICS LETTERS, 2024, 124 (11)
  • [24] Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm
    Wu, Stephen
    Kondo, Yukiko
    Kakimoto, Masa-aki
    Yang, Bin
    Yamada, Hironao
    Kuwajima, Isao
    Lambard, Guillaume
    Hongo, Kenta
    Xu, Yibin
    Shiomi, Junichiro
    Schick, Christoph
    Morikawa, Junko
    Yoshida, Ryo
    NPJ COMPUTATIONAL MATERIALS, 2019, 5 (1)
  • [25] Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm
    Stephen Wu
    Yukiko Kondo
    Masa-aki Kakimoto
    Bin Yang
    Hironao Yamada
    Isao Kuwajima
    Guillaume Lambard
    Kenta Hongo
    Yibin Xu
    Junichiro Shiomi
    Christoph Schick
    Junko Morikawa
    Ryo Yoshida
    npj Computational Materials, 5
  • [26] Machine-learning-assisted space-transformation accelerates discovery of high thermal conductivity alloys
    Visaria, Dhvaneel
    Jain, Ankit
    APPLIED PHYSICS LETTERS, 2020, 117 (20)
  • [27] Machine-Learning-Assisted Determination of the Global Zero-Temperature Phase Diagram of Materials
    Schmidt, Jonathan
    Hoffmann, Noah
    Wang, Hai-Chen
    Borlido, Pedro
    Carrico, Pedro J. M. A.
    Cerqueira, Tiago F. T.
    Botti, Silvana
    Marques, Miguel A. L.
    ADVANCED MATERIALS, 2023, 35 (22)
  • [28] Machine-Learning-Assisted Optimization for Antenna Geometry Design
    Wu, Qi
    Chen, Weiqi
    Yu, Chen
    Wang, Haiming
    Hong, Wei
    IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION, 2024, 72 (03) : 2083 - 2095
  • [29] Machine-Learning-Assisted Antenna Optimization With Data Augmentation
    Zhang, Jiapeng
    Xu, Jiawen
    Chen, Qiang
    Li, Hui
    IEEE ANTENNAS AND WIRELESS PROPAGATION LETTERS, 2023, 22 (08): : 1932 - 1936
  • [30] Machine-learning-assisted prediction of magnetic double perovskites
    Halder, Anita
    Ghosh, Aishwaryo
    Dasgupta, Tanusri Saha
    PHYSICAL REVIEW MATERIALS, 2019, 3 (08)
12345