Shuya Yamazaki

PhD student at NTU

shuya_yamazaki.jpg

NTU MSE, 50 Nanyang Ave

Block N4.1, Singapore

Shuya Yamazaki is a PhD student at MSE at NTU, working in the Materials by Design Lab led by Prof. Kedar Hippalgaonkar. He works at the intersection of Materials Science and AI, with a focus on generative design of inorganic materials (“materials-by-design”). In a broader perspective, his research contributes to the growing field of AI for Science.

Prior to his PhD, he conducted research at the NUS Institute for Functional Intelligent Materials (I-FIM) under Prof. Kostya S. Novoselov & Prof. Andrey Ustyuzhanin and at the Institute of Materials Research and Engineering (IMRE), A*STAR. He graduated early with a B.Eng. (Hons) in Materials Engineering with a specialization in Materials and AI at NTU, where he was awarded the Best Thesis Award for his undergraduate research.

Bridging research and real-world impact, he helps turn science into startups at Beyond Next Ventures. Outside of his work, he is a former All-Japan Karate Champion and Junior Olympic swimmer, and he maintains his passion through Muay Thai today.

selected publications

  1. 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
  2. WyckoffTransformer: Generation of Symmetric Crystals
    N. Kazeev, R. Zhu, I. Romanov, A. Ustyuzhanin, S. Yamazaki, W. Nong, K. Hippalgaonkar
    AI4Mat-NeurIPS 2024, ICML 2025
  3. WyCryst: Wyckoff Inorganic Crystal Generator Framework
    R. Zhu, W. Nong, S. Yamazaki, and K. Hippalgaonkar
    Matter 7, 1–20, 2024

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