Tsuyoshi Miyazaki

Profile Information

Affiliation: Researcher, National Institute for Materials Science
: 客員教授, 名古屋大学
: 教授, 筑波大学協働大学院

Degree: Doctor of Science

J-GLOBAL ID: 200901012334004518
researchmap Member ID: 0000050399

External link: http://www.nrim.go.jp

Research Interests

Research History

Education

Papers

Molecular dynamics study on DNA damage by tritium disintegration

Hiroaki Nakamura, Hisanori Miyanishi, Takuo Yasunaga, Susumu Fujiwara, Tomoko Mizuguchi, Ayako Nakata, Tsuyoshi Miyazaki, Takao Otsuka, Takahiro Kenmotsu, Yuji Hatano …

Japanese Journal of Applied Physics, 59(SA) SAAE01-SAAE01, Jan 1, 2020 Peer-reviewed
Highly accurate local basis sets for large-scale DFT calculations in conquest

Japanese Journal of Applied Physics, Oct, 2019 Peer-reviewed
Machine Learning Forces Trained by Gaussian Process in Liquid States: Transferability to Temperature and Pressure

Ryo Tamura, Jianbo Lin, Tsuyoshi Miyazaki

Journal of the Physical Society of Japan, 88(4) 044601-044601, Apr 15, 2019 Peer-reviewed
Gate controlling of quantum interference and direct observation of anti-resonances in single molecule charge transport

Nature Materials, Apr, 2019 Peer-reviewed
High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: the case of graphene–metal interfaces

Carlos Romero-Muñiz, Ayako Nakata, Pablo Pou, David R Bowler, Tsuyoshi Miyazaki, Rubén Pérez

Journal of Physics: Condensed Matter, 30(50) 505901-505901, Dec 19, 2018 Peer-reviewed
Structural properties of silicon–germanium and germanium–silicon core–shell nanowires

Journal of Physics: Condensed Matter, Nov, 2018 Peer-reviewed
Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory

Teruo Hirakawa, Teppei Suzuki, David R. Bowler, Tsuyoshi Miyazaki

JOURNAL OF PHYSICS-CONDENSED MATTER, 29(40) 9, Oct, 2017 Peer-reviewed
Efficient Calculation of Electronic Structure Using O(N) Density Functional Theory

Ayako Nakata, Yasunori Futamura, Tetsuya Sakurai, David R. Bowler, Tsuyoshi Miyazaki

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13(9) 4146-4153, Sep, 2017 Peer-reviewed
Emergence of the Dirac Electron System in a Single-Component Molecular Conductor under High Pressure

Kato, Reizo, Cui, HengBo, Tsumuraya, Takao, Miyazaki, Tsuyoshi, Suzumura, Yoshikazu

Journal of the American Chemical Society, 139(5) 1770-1773, 2017 Peer-reviewed
Machine learning for atomic forces in a crystalline solid: Transferability to various temperatures

Teppei Suzuki, Ryo Tamura, Tsuyoshi Miyazaki

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 117(1) 33-39, Jan, 2017 Peer-reviewed
Linear-scaling first-principles molecular dynamics of complex biological systems with the CONQUEST code

Takao Otsuka, Makoto Taiji, David R. Bowler, Tsuyoshi Miyazaki

JAPANESE JOURNAL OF APPLIED PHYSICS, 55(11) NA, Nov, 2016 Peer-reviewed
First-principles study of hydrogen-bonded molecular conductor κ − H 3 ( Cat − EDT − TTF / ST ) 2

Takao Tsumuraya, Hitoshi Seo, Reizo Kato, Tsuyoshi Miyazaki

Phys. Rev. B, 92(3) NA, Jul, 2015 Peer-reviewed
Optimized multi-site local orbitals in the large-scale DFT program CONQUEST

Ayako Nakata, David R. Bowler, Tsuyoshi Miyazaki

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(47) 31427-31433, 2015 Peer-reviewed
Fragment Model Study of Molecular Multiorbital System X[Pd(dmit)(2)](2)

Seo, Hitoshi, Tsumuraya, Takao, Tsuchiizu, Masahisa, Miyazaki, Tsuyoshi, Kato, Reizo

Journal of the Physical Society of Japan, 84(4) NA, 2015 Peer-reviewed
Formation of self-assembled multi-layer stable palladium nanoparticles for ligand-free coupling reactions

Mitsuhiro Arisawa, Mohammad Al-Amin, Tetsuo Honma, Yusuke Tamenori, Satoshi Arai, Naoyuki Hoshiya, Takatoshi Sato, Mami Yokoyama, Akira Ishii, Masaki Takeguchi …

RSC Advances, 5(1) 676-683, 2015 Peer-reviewed
Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+Atoms

Michiaki Arita, David R. Bowler, Tsuyoshi Miyazaki

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 10(12) 5419-5425, Dec, 2014 Peer-reviewed
Efficient Calculations with Multisite Local Orbitals in a Large-Scale DFT Code CONQUEST

Ayako Nakata, David R. Bowler, Tsuyoshi Miyazaki

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 10(11) 4813-4822, Nov, 2014 Peer-reviewed
Pressure-induced metallic conductivity in the single-component molecular crystal [Ni(dmit)<inf>2</inf>]

Hengbo Cui, Takao Tsumuraya, Tsuyoshi Miyazaki, Yoshinori Okano, Reizo Kato

European Journal of Inorganic Chemistry, 2014(24) 3837-3840, Aug 1, 2014 Peer-reviewed
Angle-resolved photoemission study of the electronic structure of the quantum spin liquid EtMe 3 Sb [Pd (dmit) 2] 2

Q. Q. Ge, H. C. Xu, X. P. Shen, M. Xia, B. P. Xie, F. Chen, Y. Zhang, R. Kato, T. Tsumuraya, T. Miyazaki …

Physical Review B - Condensed Matter and Materials Physics, 89(7) NA, Feb 5, 2014 Peer-reviewed
Density-functional theory study of gramicidin A ion channel geometry and electronic properties

Milica Todorovic, David R. Bowler, Michael J. Gillan, Tsuyoshi Miyazaki

JOURNAL OF THE ROYAL SOCIETY INTERFACE, 10(89) 25222-25228, Dec, 2013 Peer-reviewed

Misc.

Inverse versus normal NiAs structures as high-pressure phases of FeO and MnO

Z. Fang, K. Terakura, H. Sawada, T. Miyazaki, I. Solovyev

Physical Review Letters, 81(5) 1027-1030, 1998
Inverse versus normal NiAs structures as high-pressure phases of FeO and MnO

Z. Fang, K. Terakura, H. Sawada, T. Miyazaki, I. Solovyev

Physical Review Letters, 81(5) 1027-1030, 1998
First-principles theoretical study of metallic states of DCNQI-(Cu, Ag, Li) systems

Tsuyoshi Miyazaki, Kiyoyuki Terakura

Physical Review B - Condensed Matter and Materials Physics, 54(15) 10452-10464, 1996
First-principles theoretical study of metallic states of DCNQI-(Cu, Ag, Li) systems

Tsuyoshi Miyazaki, Kiyoyuki Terakura

Physical Review B - Condensed Matter and Materials Physics, 54(15) 10452-10464, 1996
First-principles theoretical study of metallic states of DCNQI-(Cu,Ag) systems: Simplicity and variety in complex systems

Tsuyoshi Miyazaki, Kiyoyuki Terakura, Yoshitada Morikawa, Takahiro Yamasaki

Physical Review Letters, 74(25) 5104-5107, 1995
Self-interaction correction for an impurity resonance state in metals

T. Miyazaki, K. Terakura, Y. Ishii

Physical Review B, 48(23) 16992-17000, 1993
Self-interaction correction for an impurity resonance state in metals

T. Miyazaki, K. Terakura, Y. Ishii

Physical Review B, 48(23) 16992-17000, 1993
First-principles study on the insulating state of alpha-NaV₂O₅

Nobuyuki Katohm Tsuyoshi Miyazaki and Takahisa Ohno, Physical Revies B59, R12723
First-principles study of the electronic structure of organic solids (CH₃)₄N[M(dmit)₂]₂ (M=Ni, Pd)

Tsuyoshi Miyazaki and Takahisa Ohno, Physical Review B59, R5269 (1999)
Self-Interaction-Corrected Local-Spin-Density-Functional Theory for Strongly Correlated Electron Systems

Yasushi Ishii and Kiyoyuki Terakura, Progress of Theoretical Physics 1991年 Supplement No. 106 173-185頁
DCNQI-(Cu,Ag,Li)系の電子状態計算

寺倉清之「固体物理」(アグネ技術センター) Vol. 30 No.11 961-969項(1995)
Attempts to Go beyond the Local-Spin-Density Approximation in the Density-Functional Formalism Recennt Advances in Magnetism of Transition Metal Compounds

Kiyoyuki Terakura, Yasushi Ishii and Toshio Asada, edited by A. Kotani and N. Suzuki (World Scientific 社)
(DI-DCNQI) 2Cu as a unique member of DCNQI-Cu family: a theoretical study of high-pressure phases

Kiyoyuki Terakura, Physical Review B56, R477 (1997)
Self-Interaction-Corrected Local-Spin-Density-Functional Theory for Strongly Correlated Electron Systems

Yasushi Ishii and Kiyoyuki Terakura, Progress of Theoretical Physics 1991, Supplement No.106 P.173-185
First-principles theoretical study of metallic states of DCNQI-(Cu,Ag) systems: simplicity and variety in complex systems

Kiyoyuki Terakura, Yoshitada Morikawa and Takahiro Yamasaki, Physical Review Letters 1995, Vol.74 P.5104-5107
First-principles study on the insulating state of alpha-NaV₂O₅

Nobuyuki Katohm Tsuyoshi Miyazaki and Takahisa Ohno, Physical Revies B59, R12723
First-principles study of the electronic structure of organic solids (CH₃)₄N[M(dmit)₂]₂ (M=Ni, Pd)

Tsuyoshi Miyazaki and Takahisa Ohno, Physical Review B59, R5269 (1999)
Attempts to Go beyond the Local-Spin-Density Approximation in the Density-Functional Formalism Recennt Advances in Magnetism of Transition Metal Compounds

Kiyoyuki Terakura, Yasushi Ishii and Toshio Asada, edited by A. Kotani and N. Suzuki (World Scientific)
(DI-DCNQI) 2Cu as a unique member of DCNQI-Cu family: a theoretical study of high-pressure phases

Kiyoyuki Terakura, Physical Review B56, R477 (1997)

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