Dr. XU Wenjun (徐文君)

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Research Output

  1. 2024
  2. Published

    A Q-learning method based on coarse-to-fine potential energy surface for locating transition state and reaction pathway

    Xu, W., Zhao, Y., Chen, J., Wan, Z., Yan, D., Zhang, X. & Zhang, R., 30 Mar 2024, In: Journal of Computational Chemistry. 45, 8, p. 487-497

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

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  3. 2023
  4. Published

    Optimization of chemical synthesis with heuristic algorithms

    Chen, J., Xu, W. & Zhang, R., 7 Feb 2023, In: Physical Chemistry Chemical Physics. 25, 5, p. 4323-4331

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

    Scopus citations: 3
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  5. 2022
  6. Published

    Predicted superconductivity and superionic state in the electride Li5N under high pressure

    Wan, Z., Zhang, C., Yang, T., Xu, W. & Zhang, R., Nov 2022, In: New Journal of Physics. 24, 11, 113012.

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

    Scopus citations: 27
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  7. Published

    As-Li electrides under high pressure: Superconductivity, plastic, and superionic states

    Wan, Z., Xu, W., Yang, T. & Zhang, R., Aug 2022, In: Physical Review B: covering condensed matter and materials physics. 106, 6, 6 p., L060506.

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

    Scopus citations: 27
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  8. Published

    Δ-Machine learning-driven discovery of double hybrid organic-inorganic perovskites

    Chen, J., Xu, W. & Zhang, R., 21 Jan 2022, In: Journal of Materials Chemistry A. 10, 3, p. 1402-1413

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

    Scopus citations: 19
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  9. 2021
  10. Published

    A machine learning approach using frequency descriptor for molecular property predictions

    Chen, J., Xu, W. & Zhang, R., 28 Nov 2021, In: New Journal of Chemistry. 45, 44, p. 20672-20680

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

    Scopus citations: 2
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