npj Computational Materials

npj Computational Materials

ISSNs: 2057-3960

Nature Publishing Group, United Kingdom

Scopus rating (2022): CiteScore 15.3 SJR 2.977 SNIP 2.297

Indexed in DOAJ

Journal

Journal Metrics

Research Output

  1. 2023
  2. Published

    A generative deep learning framework for inverse design of compositionally complex bulk metallic glasses

    Zhou, Z., Shang, Y., Liu, X. & Yang, Y., 2023, In: npj Computational Materials. 9, 15.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 11
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  3. Published

    Coherent and semicoherent α/β interfaces in titanium: structure, thermodynamics, migration

    Wang, S., Wen, T., Han, J. & Srolovitz, D. J., 2023, In: npj Computational Materials. 9, 216.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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  4. 2022
  5. Published

    Design high-entropy carbide ceramics from machine learning

    Zhang, J., Xu, B., Xiong, Y., Ma, S., Wang, Z., Wu, Z. & Zhao, S., 2022, In: npj Computational Materials. 8, 1, 5.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 36
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  6. 2021
  7. Published

    Equation of motion for grain boundaries in polycrystals

    Zhang, L., Han, J., Srolovitz, D. J. & Xiang, Y., 2021, In: npj Computational Materials. 7, 64.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 12
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  8. Published

    Rational design of chemically complex metallic glasses by hybrid modeling guided machine learning

    Zhou, Z. Q., He, Q. F., Liu, X. D., Wang, Q., Luan, J. H., Liu, C. T. & Yang, Y., 2021, In: npj Computational Materials. 7, 138.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 17
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  9. Published

    Specialising neural network potentials for accurate properties and application to the mechanical response of titanium

    Wen, T., Wang, R., Zhu, L., Zhang, L., Wang, H., Srolovitz, D. J. & Wu, Z., 2021, In: npj Computational Materials. 7, 206.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 28
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  10. 2020
  11. Published

    Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

    Ivády, V., Barcza, G., Thiering, G., Li, S., Hamdi, H., Chou, J., Legeza, Ö., & 1 othersGali, A., 2020, In: npj Computational Materials. 6, 41.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 115
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  12. Predicting aqueous stability of solid with computed Pourbaix diagram using SCAN functional

    Wang, Z., Guo, X., Montoya, J. & Nørskov, J. K., 2020, In: npj Computational Materials. 6, 160.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 63
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  13. 2019
  14. Published

    Predicting surface deformation during mechanical attrition of metallic alloys

    Cao, S. C., Zhang, X., Lu, J., Wang, Y., Shi, S. & Ritchie, R. O., 1 Dec 2019, In: npj Computational Materials. 5, 36.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 22
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  15. Published

    Local-environment dependence of stacking fault energies in concentrated solid-solution alloys

    Zhao, S., Osetsky, Y., Stocks, G. M. & Zhang, Y., 2019, In: npj Computational Materials. 5, 13.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 81
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  16. Published

    Machine learning guided appraisal and exploration of phase design for high entropy alloys

    Zhou, Z., Zhou, Y., He, Q., Ding, Z., Li, F. & Yang, Y., 2019, In: npj Computational Materials. 5, 128.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 175
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  17. 2018
  18. Nanometer-scale gradient atomic packing structure surrounding soft spots in metallic glasses

    Wang, B., Luo, L., Guo, E., Su, Y., Wang, M., Ritchie, R. O., Dong, F., & 3 othersWang, L., Guo, J. & Fu, H., 2018, In: npj Computational Materials. 4, 41.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 40
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  19. Published

    Nanotwinned and hierarchical nanotwinned metals: A review of experimental, computational and theoretical efforts

    Sun, L., He, X. & Lu, J., 2018, In: npj Computational Materials. 4, 6.

    Research output: Journal Publications and ReviewsRGC 62 - Review of books or of software (or similar publications/items)peer-review

    Scopus citations: 120
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  20. Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses

    Wang, N., Ding, J., Yan, F., Asta, M., Ritchie, R. O. & Li, L., 2018, In: npj Computational Materials. 4, 19.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 72
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  21. 2016
  22. Published

    Super square carbon nanotube network: a new promising water desalination membrane

    Sun, L., He, X. & Lu, J., 2016, In: npj Computational Materials. 2, 16004.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 20
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  23. 2015
  24. Theory and experimental evidence of phonon domains and their roles in pre-martensitic phenomena

    Jin, Y. M., Wang, Y. U. & Ren, Y., 18 Dec 2015, In: npj Computational Materials. 1, 15002.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 17
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