About the Laboratory

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Unlocking materials with theory × computation.

Hands-on theory that moves results. We design material functions from atomic/electronic scales using first-principles and high-performance computing, and collaborate with experimental groups for validation as we aim for unexplored areas in materials research.

  • First-principles / DFT
  • Large-scale computing (HPC)
  • Spin, multipoles & group theory
  • Informatics / ML
  • Open to collaboration
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Example Starting Points

Just examples—bring your interests. Cross-disciplinary themes welcome. We encourage papers and conference presentations.

  • Think from atoms & electrons

    Analyze electronic structures from band and DOS to Fermi surfaces and Berry phases.

  • HPC × informatics

    Use supercomputers and machine learning for fast exploration and property prediction.

  • Validate through collaboration

    Work with experimental groups to elucidate mechanisms behind emerging phenomena.

From the PI

We use mathematical modeling and simulation techniques to explore diverse material phenomena and develop methodologies for designing functional materials. Grounded in condensed matter physics, which seeks to understand materials at the atomic and electronic levels, our research also embraces practical approaches such as phenomenology and machine learning. By integrating both fundamental science and applied methods, we aim to establish practical materials design frameworks beyond conventional boundaries. (Principal Investigator: Michi-To Suzuki)