RIKEN Center for Computational Science Computational Materials Science Research Team
Team Leader: Seiji Yunoki (D.Eng.)
Research Summary
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
Keywords
- Condensed matter physics
- Materials science
Selected Publications
- 1.M. Khazaei, A. Ranjibar, M. Arai, T. Sasaki, S. Yunoki:
"Electronic properties and applications of MXenes: a theoretical review"
J. Mater. Chem. C 5, 2488 (2017) - 2.Y. Otsuka, S. Yunoki, S. Sorella:
"Universal quantum criticality in metal-insulator transition of two-dimensional interacting Dirac electrons"
Physical Review X 6, 011029 (2016) - 3.M. Khazaei, M. Arai, T. Sasaki, A. Ranjbar, Y. Liang, S. Yunoki:
"OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials"
Physical Review B 92, 075411 (2015) - 4.S. Sota, S. Yunoki, 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) - 5.G. Mazzola, S. Yunoki, S. Sorella:
"Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electric simulation"
Nature Communications 5, 3487 (2014) - 6.S. Zhang, S. Yamagiwa, M. Okumura, S. Yunoki:
"Kernel polynomial method on GPU"
International Journal of Parallel Programming 41, 59 (2013) - 7.S. Sorella, Y. Otsuka, S. Yunoki:
"Absence of a Spin Liquid Phase in the Hubbard Model on the Honeycomb Lattice"
Scientific Reports 2, 992 (2012)
Recent Research Results
Nov. 9, 2018
New insulating state found in stretched graphene
Related Links
Lab Members
Principal investigator
- Seiji Yunoki
- Team Leader
Core members
- Yuichi Otsuka
- Research Scientist
- Hiroshi Ueda
- Research Scientist
- Shigetoshi Sota
- Research Scientist
- Mohammad Khazaei
- Research Scientist
- Akiko Masaki
- Special Postdoctoral Researcher
- Ahmad Ranjbar
- Postdoctoral Researcher
- Takami Tohyama
- Senior Visiting Scientist
- Yutaka Imamura
- Visiting Scientist
- Kazuhiro Seki
- Visiting Scientist
Contact Information
7-1-26 Minatojima-minami-machi,
Chuo-ku, Kobe, Hyogo
650-0047, Japan