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RIKEN Center for Computational Science Computational Materials Science Research Team

Team Leader: Seiji Yunoki (D.Eng.)

Research Summary

Seiji  Yunoki(D.Eng.)

The main purpose of our research is to develop new numerical methods to understand new quantum states of matter in a wide range of quantum many-body systems, including solid state materials, nano-sized matters, and cold atoms. Using various numerical techniques, we study emergent quantum phenomena that appear as a result of collective, many-body effects. To make the most of the full power of RIKEN's K computer, we are developing new numerical algorithms and computational codes for quantum systems in general. For the next several years, our main focus will be on (i) materials design for strongly correlated materials, (ii) searching for new quantum states of matter in many-body quantum systems, and (iii) developing new numerical methods, algorithms, and computational codes for strongly correlated quantum systems.

Main Research Fields

  • Interdisciplinary Science & Engineering


  • Condensed matter physics
  • Materials science

Selected Publications

  • 1. K. Seki, Y. Otsuka, S. Yunoki, and S. Sorella:
    "Fermi-liquid ground state of interacting Dirac fermions in two dimensions"
    Physical Review B 99, 125145 (2019)
  • 2. M. Khazaei, A. Mishra, N. S. Venkataramanan, A. K. Singh, and S. Yunoki:
    "Recent advances in MXenes: From fundamentals to applications"
    Current Opinion in Solid State and Materials Science 23, 164 (2019)
  • 3. Y. Otsuka, K. Seki, S. Sorella, and S. Yunoki:
    "Quantum criticality in the metal-superconductor transition of interacting Dirac fermions on a triangular lattice"
    Physical Review B 98, 035126 (2018)
  • 4. S. Sorella, K. Seki, O. O. Brovko, T. Shirakawa, S. Miyakoshi, S. Yunoki, and E. Tosatti:
    "Correlation-driven dimerization and topological gap opening in isotropically strained graphene"
    Physical Review Letters 121, 066402 (2018)
  • 5. H. Ueda, K. Okunishi, R. Krcmar, A. Gendiar, S. Yunoki, and T. Nishino:
    "Critical behavior of the two-dimensional icosahedron model"
    Physical Review E 96, 062112/1-5 (2017)
  • 6. M. Khazaei, A. Ranjibar, M. Arai, T. Sasaki, and S. Yunoki:
    "Electronic properties and applications of MXenes: a theoretical review"
    Journal of Materials Chemistry C 5, 2488 (2017)
  • 7. Y. Otsuka, S. Yunoki, and S. Sorella:
    "Universal quantum criticality in metal-insulator transition of two-dimensional interacting Dirac electrons"
    Physical Review X 6, 011029 (2016)
  • 8. S. Sota, S. Yunoki, and T. Tohyama:
    "Density-matrix renormalization group study of third harmonic generation in one-dimensional Mott insulator coupled with phonon"
    Journal of the Physical Society Japan 84, 054403 (2015)
  • 9. G. Mazzola, S. Yunoki, and S. Sorella:
    "Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electric simulation"
    Nature Communications 5, 3487 (2014)
  • 10. S. Sorella, Y. Otsuka, and S. Yunoki:
    "Absence of a Spin Liquid Phase in the Hubbard Model on the Honeycomb Lattice"
    Scientific Reports 2, 992 (2012)

Recent Research Results

Related Links

Lab Members

Principal investigator

Seiji Yunoki
Team Leader

Core members

Yuichi Otsuka
Research Scientist
Shigetoshi Sota
Research Scientist
Tomonori Shirakawa
Research Scientist
Hiroshi Ueda
Research Scientist
Takami Tohyama
Senior Visiting Scientist

Contact Information

7-1-26 Minatojima-minami-machi,
Chuo-ku, Kobe, Hyogo
650-0047, Japan
Email: yunoki [at] riken.jp