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CMS Group@UNLV

 

Publications

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arXiv

  1. Yanxon H, Zagaceta D, Wood B, Zhu Q*(2019)
    On Transferability of Machine Learning Force Fields: A Case Study on Silicon [pdf]

  2. Fredericks S, Sayre D, Zhu Q*(2019)
    PyXtal: a Python Library for Crystal Structure Generation and Symmetry Analysis [pdf]

Peer Reviewed Papers

  1. Zagaceta D, Yanxon H, Zhu Q*(2020)
    Spectral Neural Network Potentials for Binary Alloys.
    J. Appl. Phys., 128, 045113 [pdf] [arXiv]

  2. Zhu S-C, Yan X-Z, Liu J, Oganov A. R., Zhu Q*(2020)
    A Revisited Mechanism of the Graphite-to-Diamond Transition at High Temperature.
    [html] [pdf]

  3. Qu J-Y, Zagaceta D, Zhang W-W, Zhu Q*(2020)
    High Dielectric Ternary Oxides from Crystal Structure Prediction and High-throughput Screening Sci. Data, 7, 81 [pdf]

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