Basic Information

Faculty

• Faculty of Engineering

Email Address

• Email Address

  wakai.hayato.4dkyoto-u.ac.jp

Academic Degree

• 25 Mar. 2024

  京都大学修士（工学）
• 23 Mar. 2026

  京都大学博士（工学）

Academic Resume (Undergraduate School/Majors)

• 京都大学, 工学部物理工学科, 卒業

ID,URL

• ORCID ID

  0009-0007-6981-2049

• J-Global ID

  202601013582762460

researchmap URL

• https://researchmap.jp/hayato-wakai

Research

Research Interests

• 圧力温度相図計算
• 非調和格子振動計算
• 機械学習ポテンシャル
• 結晶構造探索

Papers

• Pressure–temperature phase diagram from global structure prediction and self-consistent phonon calculations based on polynomial machine learning potentials: Application to elemental silicon

  Hayato Wakai; Atsuto Seko; Isao Tanaka

  The Journal of Chemical Physics, 14 Oct. 2026, Peer-reviewed

  
• Systematic global structure search of bismuth-based binary systems under pressure using machine learning potentials

  Hayato Wakai; Shintaro Ishiwata; Atsuto Seko

  Physical Review Materials, 02 Sep. 2026, Peer-reviewed

  
• Predictive power of polynomial machine learning potentials for liquid states in 22 elemental systems

  Hayato Wakai; Atsuto Seko; Hirosato Izuta; Takayuki Nishiyama; Isao Tanaka

  Physical Review B, 24 Jun. 2024, Peer-reviewed

  
• Efficient global crystal structure prediction using polynomial machine learning potential in the binary Al–Cu alloy system

  Hayato Wakai; Atsuto Seko; Isao Tanaka

  Journal of the Ceramic Society of Japan, 01 Oct. 2023, Peer-reviewed

  

Misc.

• Development of Machine Learning Potential Repository and Its Applications

  Atsuto Seko; Hayato Wakai

  Bull. Ceram. Soc. Jpn., Nov. 2023