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
1 - 20 out of 24Page size: 20

Research Output

  1. 2024
  2. Published

    Local-distortion-informed exceptional multicomponent transition-metal carbides uncovered by machine learning

    Zhang, J., He, L., Xiong, Y., Huang, S., Xu, B., Ma, S., Xiang, X., & 4 othersFu, H., Kai, J., Wu, Z. & Zhao, S., 26 Jul 2024, In: npj Computational Materials. 10, 10 p., 162.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 1
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  3. Published

    Accelerated discovery of eutectic compositionally complex alloys by generative machine learning

    Chen, Z. Q., Shang, Y. H., Liu, X. D. & Yang, Y., 2024, In: npj Computational Materials. 10, 204.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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  4. Published

    Distinct amorphization resistance in high-entropy MAX-phases (Ti, M)2AlC (M=Nb, Ta, V, Zr) under in situ irradiation

    Xiao, H., Zhao, S., Zhang, J., Zhao, S., Li, Y., Chen, K., Cao, L., & 3 othersWang, Y., Huang, Q. & Wang, C., 2024, In: npj Computational Materials. 10, 196.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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  5. Published

    Tunable Schottky barriers and magnetoelectric coupling driven by ferroelectric polarization reversal of MnI3/In2Se3 multiferroic heterostructures

    Zhang, T., Guo, H., Shen, J., Liang, Y., Fan, H., Jiang, W., Wang, Q., & 1 othersTian, X., 2024, In: npj Computational Materials. 10, 13 p., 238.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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  6. 2023
  7. Published

    Finite-temperature screw dislocation core structures and dynamics in α-titanium

    Liu, A., Wen, T., Han, J. & Srolovitz, D. J., 21 Dec 2023, In: npj Computational Materials. 9, 13 p., 228.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 1
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  8. Published

    The innate interfacial elastic strain field of a transformable B2 precipitate embedded in an amorphous matrix

    Fu, X., Lin, Y., Zhu, M., Wang, K., Wu, J., Tong, X., Song, W., & 6 othersTan, M. J., Yang, Y., Shen, J., Wang, G., Shek, C. H. & Ritchie, R. O., 16 Dec 2023, In: npj Computational Materials. 9, 8 p., 226.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 2
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  9. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 20
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  10. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 7
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  11. 2022
  12. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 61
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  13. Mechanism of keyhole pore formation in metal additive manufacturing

    Wang, L., Zhang, Y., Chia, H. Y. & Yan, W., 2022, In: npj Computational Materials. 8, 22.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 127
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  14. 2021
  15. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 13
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  16. Phase-field modeling of grain evolutions in additive manufacturing from nucleation, growth, to coarsening

    Yang, M., Wang, L. & Yan, W., 2021, In: npj Computational Materials. 7, 56.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 132
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  17. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 23
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  18. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 42
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  19. 2020
  20. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 132
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  21. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 87
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  22. 2019
  23. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 25
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  24. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 89
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  25. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 210
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  26. 2018

  27. 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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 47
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