publications

A few research work I have published over the years. More to come!

2025

  1. AI4X
    Multi‑property directed generative design of inorganic materials through Wyckoff‑augmented transfer learning
    S. Yamazaki*, W. Nong*, R. Zhu*, KS. Novoselov, and 2 more authors
    AI4X 2025
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  2. AI4X
    Metastable Polymorph Stabilization with Physics-based Descriptor Engineering and Machine Learning
    H. Dai, AP. Chen, S. Yamazaki, and 4 more authors
    AI4X 2025
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  3. NeurIPS ICML
    WyckoffTransformer: Generation of Symmetric Crystals
    N. Kazeev, R. Zhu, I. Romanov, A. Ustyuzhanin, S. Yamazaki, W. Nong, K. Hippalgaonkar
    AI4Mat‑NeurIPS 2024, ICML 2025
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2024

  1. Matter
    WyCryst: Wyckoff Inorganic Crystal Generator Framework
    R. Zhu, W. Nong, S. Yamazaki, and K. Hippalgaonkar
    Matter 7, 1–20, 2024
    DOI