World's Best Scientists 2026 revealed!
npj Computational Materials
H-index 67

npj Computational Materials

Published by: Nature Publishing Group

https://www.nature.com/npjcompumats/

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Materials Science 92 436 556 60

Additional Metrics

Number of Best Scientists*: 678
Documents by Best Scientists*: 764
Top 100 Ranked Scientists*: 27
SCIMAGO H-index: 97
SCIMAGO SJR: 2.835
Impact Factor: 11.9

Top Publications

  • Recent advances and applications of deep learning methods in materials science

    (2021)
    488 Citations
  • Machine learning enabled autonomous microstructural characterization in 3D samples

    Henry Chan;Mathew Cherukara;Troy D. Loeffler;Badri Narayanan;Badri Narayanan

    (2020)
    398 Citations
  • Inverse-designed spinodoid metamaterials

    Siddhant Kumar;Stephanie Tan;Li Zheng;Dennis M. Kochmann;Dennis M. Kochmann

    (2020)
    375 Citations
  • Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning

    Pedro Borlido;Jonathan Schmidt;Ahmad W. Huran;Fabien Tran

    (2020)
    302 Citations
  • Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy

    Qi-Jun Hong;Jan Schroers;Douglas Hofmann;Stefano Curtarolo

    (2021)
    243 Citations
  • Generative adversarial networks (GAN) based efficient sampling of chemical composition space for inverse design of inorganic materials

    Yabo Dan;Yong Zhao;Xiang Li;Shaobo Li

    (2020)
    217 Citations
  • The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

    Kamal Choudhary;Kamal Choudhary;Kevin F. Garrity;Andrew C.E. Reid;Brian DeCost

    (2020)
    207 Citations
  • Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy

    Xiang-Guo Li;Chi Chen;Hui Zheng;Yunxing Zuo

    (2020)
    186 Citations
  • Discovery of high-entropy ceramics via machine learning

    Kevin Kaufmann;Daniel Maryanovsky;William M. Mellor;Chaoyi Zhu

    (2020)
    181 Citations
  • Benchmarking graph neural networks for materials chemistry

    Victor Fung;Jiaxin Zhang;Eric Juarez;Bobby G. Sumpter

    (2021)
    178 Citations

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Best Scientists Contributing to This Journal