MIYAZAKI Tsuyoshi 宮崎剛

Researcher Number	50354147
Other IDs
External Links
Affiliation (Current)	2025: 国立研究開発法人物質・材料研究機構, ナノアーキテクトニクス材料研究センター, グループリーダー
Affiliation (based on the past Project Information) *help	2023 – 2024: 国立研究開発法人物質・材料研究機構, ナノアーキテクトニクス材料研究センター, グループリーダー 2017 – 2022: 国立研究開発法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, MANA主任研究者 2015 – 2016: 国立研究開発法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, グループリーダー 2015: 国立研究開発法人物質・材料研究機構, 理論計算科学ユニット, グループリーダー 2014: 独立行政法人物質・材料研究機構, その他部局等, その他 … More 2014: 物質材料研究機構, 理論計算科学ユニット, グループリーダー 2014: 独立行政法人物質・材料研究機構, 先端的共通技術部門理論計算科学ユニット量子物性シミュレーショングループ, 主幹研究員 2013 – 2014: 独立行政法人物質・材料研究機構, 理論計算科学ユニット, グループリーダー 2012: 独立行政法人物質・材料研究機構, その他部局等, 研究員 2012: 独立行政法人物質・材料研究機構, 主幹研究員 2010 – 2011: 物質材料研究機構, 計算科学センター, 主幹研究員 2008 – 2010: National Institute for Materials Science, 計算科学センター, 主幹研究員 2007: National Institute for Materials Science, 計算科学センター, 主任研究員 2006 – 2007: 独立行政法人物質・材料研究機構, 計算科学センター, 主任研究員 2004 – 2005: 独立行政法人物質・材料研究機構, 計算材料科学研究センター, 主任研究員 Less
Review Section/Research Field	Principal Investigator Science and Engineering / Basic Section 30010:Crystal engineering-related / Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related / Mathematical physics/Fundamental condensed matter physics / Biophysics/Chemical physics Except Principal Investigator Science and Engineering / Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related / Medium-sized Section 28:Nano/micro science and related fields / Crystal engineering / Condensed matter physics II / Science and Engineering
Keywords	Principal Investigator 密度汎関数法 / 第一原理計算 / 大規模第一原理計算 / 構造最適化 / オーダーN法 / FLEX近似 / 圧力効果 / 機械学習 / 窒化ガリウム / 欠陥構造 … More / ナノ微粒子触媒 / 分子動力学 / 理論化学 / 物性物理 / ナノ粒子 / 触媒 / ナノ構造物質 / 量子化学 / 物性理論 / ナノ粒子触媒 / ナノ物質 / 大規模DFT計算 / イオンチャネル / 計算手法、プログラム開発 / 計算物理 / 生物物理 / 第一原理分子動力学 / プログラム開発 / 溶媒効果 / DNA / 有機導体 / 分子性導体 / 有機伝導体 / 有機超伝導体 … More Except Principal Investigator トランジスタ / ナノワイヤ / ゲルマニウム / シリコン / 第一原理計算 / 分子動力学シミュレーション / マテリアルズ・インフォマティクス / 次元削減 / 機械学習 / 分子動力学 / 不規則構造 / ラマン / ドーピング / ヘテロ構造 / 量子細線 / ナノ材料 / 超格子 / 結晶工学 / ラマン分光 / 半導体 / ヘテロ接合 / 結晶成長 / 電荷秩序 / 電界効果トランジスタ / モット転移 / キャリア注入 / ディラック電子系 / 分子性導体 / 臨界現象 / 強相関電子系 / 圧力効果 / 光誘起相転移 / 超伝導 / 有機電子材料・素子 / 電気・磁気的機能 / 分子性固体・有機導体 / オーダーN / コンピューティクス / オーダーＮ / 原子構造 / 電子状態 / 新材料 / ナノ構造 / 密度行列 / カー・パリネロ分子動力学法 / 量子論 / 京コンピューター / グラフェン / シリコン・ナノワイヤー / ナノ構造・材料 / 実空間手法 / 密度汎関数理論 / 密度汎関数線形応答理論 / sp2結合 / 水素結合対称化 / 弾性定数 / 強結合分子動力学 / Order-N / ナノダイヤモンド / 水素結合 / 第一原理分子動力学 / ナノダイアモンド / マグマ / 液体 / ナノ構造物質 / 含水鉱物 / 氷 / 水 / 地球惑星科学 / 量子シミュレーション / 中性子散乱 / 高圧力 / 反応経路探索法 / 実時間開発TDDFT / 拡張アンサンブル法 / 生体系、DNA / 酸化還元反応 / 有機単分子架橋系 / 伝導特性解析シミュレーション / 大域的安定構造探索 / オーダーN手法 / 相転移 / スピンクロスオーバー / TDDFT / 励起エネルギー / イオンチャネル / 膜タンパク質 / オーダーN法 / 大規模第一原理計算 / ナノ物質 / 第一原理 Less

Structure modeling of defects and impurities in GaN using large-scale DFT calcualtionssPrincipal Investigator
- Principal Investigator
  
  宮崎剛
- Project Period (FY)
  2023 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 30010:Crystal engineering-related
- Research Institution
  National Institute for Materials Science
Development of vertical HEMT-type devices using Si-Ge core-shell heterojunction nanowires
- Principal Investigator
  
  深田直樹
- Project Period (FY)
  2021 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 28:Nano/micro science and related fields
- Research Institution
  National Institute for Materials Science
機械学習・次元削減手法による不規則構造のミクロスコピック解析
- Principal Investigator
  
  田村亮
- Project Period (FY)
  2021 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
- Research Institution
  National Institute for Materials Science
Development of large-scale first-principles MD and its applications of nano-structured materialsPrincipal Investigator
- Principal Investigator
  
  MIYAZAKI Tsuyoshi
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
- Research Institution
  National Institute for Materials Science
Control of site selective doping and carrier transport in core-shell heterojunction nanowires
- Principal Investigator
  
  Fukata Naoki
- Project Period (FY)
  2014 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Crystal engineering
- Research Institution
  National Institute for Materials Science
Environment-dependent force fields for complex biological systems based on very large-scale first-principles calculationsPrincipal Investigator
- Principal Investigator
  
  Miyazaki Tsuyoshi
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Mathematical physics/Fundamental condensed matter physics
- Research Institution
  National Institute for Materials Science
Density-Functional Approach to Atomic and Electronic Structures and their Dynamics in Nano-Structures
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2010 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Molecular Conductors as Ultimate pi-electron System
- Principal Investigator
  
  KATO Reizo
- Project Period (FY)
  2010 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  Condensed matter physics II
- Research Institution
  The Institute of Physical and Chemical Research
Quantum simulation of hydrous minerals, magma and water under high pressure
- Principal Investigator
  
  IITAKA Toshiaki
- Project Period (FY)
  2008 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The Institute of Physical and Chemical Research
O (N) DFT study on the structural stability of hydrated DNA systemsPrincipal Investigator
- Principal Investigator
  
  MIYAZAKI Tsuyoshi
- Project Period (FY)
  2008 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Biophysics/Chemical physics
- Research Institution
  National Institute for Materials Science
様々な環境下における分子性導体の構造変形と電子状態に対する第一原理計算Principal Investigator
- Principal Investigator
  
  宮崎剛
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  National Institute for Materials Science
Development of order-N DFT methods and the application on nano materials
- Principal Investigator
  
  OHNO Takahisa
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  National Institute for Materials Science
高圧下等環境下の分子性導体の第一原理計算、及びそれに基づく諸物性の理論的予測Principal Investigator
- Principal Investigator
  
  宮崎剛
- Project Period (FY)
  2004 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  National Institute for Materials Science

[Book] Large-Scale First-Principles Calculation Technique for Nanoarchitectonics: Local Orbital and Linear-Scaling DFT Methods with the CONQUEST Code (System-Materials Nanoarchitectonics)2022
- Author(s)
  T. Miyazaki, A. Nakata, D. R. Bowler
- Total Pages
  338
- Publisher
  Springer, Tokyo
- ISBN
  9784431569114
- Data Source
  KAKENHI-PROJECT-18H01143
[Book] 環境・エネルギー材料ハンドブック(III.1.3電子論に基づく構造予測と設計技術の基礎)2011
- Author(s)
  宮崎剛
- Total Pages
  11
- Publisher
  オーム社
- Data Source
  KAKENHI-PROJECT-20540401
[Book] 環境・エネルギー材料ハンドブック(III.1.3 電子論に基づく構造予測と設計技術の基礎)2011
- Author(s)
  宮崎剛
- Total Pages
  11
- Publisher
  オーム社
- Data Source
  KAKENHI-PROJECT-20540401
[Book] 計算力学シミュレーションハンドブック(4.3 章:第一原理オーダーN法による大規模解析)2009
- Author(s)
  宮崎剛
- Publisher
  オーム社
- Data Source
  KAKENHI-PROJECT-20540401
[Book] 計算力学シミュレーションハンドブック(日本計算工学会、計算科学振興財団編)(4.3章:第一原理オーダーN法による大規模解析)2009
- Author(s)
  宮崎剛
- Total Pages
  8
- Publisher
  丸善
- Data Source
  KAKENHI-PROJECT-20540401
[Book] DNAの大規模DFT計算2008
- Author(s)
  宮崎剛、大塚教雄
- Publisher
  固体物理
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Determination of hyper-parameters in the atomic descriptors for efficient and robust molecular dynamics simulations with machine learning forces2023
- Author(s)
  Lin Jianbo、Tamura Ryo、Futamura Yasunori、Sakurai Tetsuya、Miyazaki Tsuyoshi
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 25 Issue: 27 Pages: 17978-17986
- DOI
  10.1039/d3cp01922e
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-23K20816
[Journal Article] Structural analysis based on unsupervised learning: Search for a characteristic low-dimensional space by local structures in atomistic simulations2022
- Author(s)
  Tamura Ryo、Matsuda Momo、Lin Jianbo、Futamura Yasunori、Sakurai Tetsuya、Miyazaki Tsuyoshi
- Journal Title
  
  Physical Review B
  
  Volume: 105 Issue: 7 Pages: 1-18
- DOI
  10.1103/physrevb.105.075107
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K20280, KAKENHI-PROJECT-18H03250, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-18H01143, KAKENHI-PROJECT-23K20816
[Journal Article] The investigation of methane storage at the Ni-MOF-74 material: a periodic DFT calculation2021
- Author(s)
  Yeh Chen-Hao、Khan Abdul Hannan、Miyazaki Tsuyoshi、Jiang Jyh-Chiang
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Issue: 21 Pages: 12270-12279
- DOI
  10.1039/d1cp01276b
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] First-principles study of topologically protected vortices and ferroelectric domain walls in hexagonal YGaO32020
- Author(s)
  Smabraten Didrik R.、Nakata Ayako、Meier Dennis、Miyazaki Tsuyoshi、Selbach Sverre M.
- Journal Title
  
  Physical Review B
  
  Volume: 102 Issue: 14
- DOI
  10.1103/physrevb.102.144103
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs2020
- Author(s)
  Hirakawa Teruo、Bowler David R.、Miyazaki Tsuyoshi、Morikawa Yoshitada、Truflandier Lionel A.
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 41 Issue: 22 Pages: 1973-1984
- DOI
  10.1002/jcc.26367
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] Structural change of damaged polyethylene by beta-decay of substituted tritium using reactive force field2020
- Author(s)
  Li Haolun、Fujiwara Susumu、Nakamura Hiroaki、Mizuguchi Tomoko、Nakata Ayako、Miyazaki Tsuyoshi、Saito Shinji
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 60 Issue: SA Pages: SAAB06-SAAB06
- DOI
  10.35848/1347-4065/abbdc8
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K03800, KAKENHI-PROJECT-19K05209, KAKENHI-PROJECT-18H01143
[Journal Article] The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO3 perovskites2020
- Author(s)
  Baker Jack S、Miyazaki Tsuyoshi、Bowler David R
- Journal Title
  
  Electronic Structure
  
  Volume: 2 Issue: 2 Pages: 025002-025002
- DOI
  10.1088/2516-1075/ab950e
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] Large scale and linear scaling DFT with the CONQUEST code2020
- Author(s)
  Nakata Ayako、Baker Jack S.、Mujahed Shereif Y.、Poulton Jack T. L.、Arapan Sergiu、Lin Jianbo、Raza Zamaan、Yadav Sushma、Truflandier Lionel、Miyazaki Tsuyoshi、Bowler David R.
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 152 Issue: 16
- DOI
  10.1063/5.0005074
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] Molecular dynamics study on DNA damage by tritium disintegration2019
- Author(s)
  Nakamura Hiroaki、Miyanishi Hisanori、Yasunaga Takuo、Fujiwara Susumu、Mizuguchi Tomoko、Nakata Ayako、Miyazaki Tsuyoshi、Otsuka Takao、Kenmotsu Takahiro、Hatano Yuji、Saito Shinji
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 59 Issue: SA Pages: SAAE01-SAAE01
- DOI
  10.7567/1347-4065/ab460d
- NAID
  210000157157
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K03800, KAKENHI-PROJECT-19K05209, KAKENHI-PROJECT-18H01143, KAKENHI-PROJECT-15K06650
[Journal Article] Machine Learning Forces Trained by Gaussian Process in Liquid States: Transferability to Temperature and Pressure2019
- Author(s)
  Ryo Tamura, Jianbo Lin, and Tsuyoshi Miyazaki
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 88 Issue: 4 Pages: 044601-044601
- DOI
  10.7566/jpsj.88.044601
- NAID
  40021866626
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] Highly accurate local basis sets for large-scale DFT calculations in conquest2019
- Author(s)
  Bowler David R.、Baker Jack S.、Poulton Jack T. L.、Mujahed Shereif Y.、Lin Jianbo、Yadav Sushma、Raza Zamaan、Miyazaki Tsuyoshi
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 58 Issue: 10 Pages: 100503-100503
- DOI
  10.7567/1347-4065/ab45af
- NAID
  210000157142
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] Large-Scale DFT Study of Ge/Si 3D Nanoislands and Core-Shell Nanowires2018
- Author(s)
  T. Miyazaki
- Journal Title
  
  ECS TRANSACTIONS
  
  Volume: 86 Issue: 7 Pages: 269-279
- DOI
  10.1149/08607.0269ecst
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H01143
[Journal Article] Fragment Model Study of Molecular Multi-Orbital System X[Pd(dmit)2]22015
- Author(s)
  H. Seo, T. Tsumuraya, M. Tsuchiizu, T. Miyazaki, R. Kato
- Journal Title
  
  J. Phys. Soc. Jpn
  
  Volume: 84 Issue: 4 Pages: 044716-044716
- DOI
  10.7566/jpsj.84.044716
- NAID
  210000133530
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PROJECT-24740232, KAKENHI-PROJECT-25400370, KAKENHI-PUBLICLY-26108720, KAKENHI-PROJECT-26287070, KAKENHI-PROJECT-26400377, KAKENHI-PLANNED-23108002
[Journal Article] Optimized multi-site local orbitals in the large-scale DFT program CONQUEST2015
- Author(s)
  A. Nakata, D. R. Bowler and T. Miyazaki
- Journal Title
  
  Phys. Chem. Chem. Phys., published online
  
  Volume: - Issue: 47 Pages: 31427-31433
- DOI
  10.1039/c5cp00934k
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PROJECT-25810015, KAKENHI-PUBLICLY-15H01052, KAKENHI-PROJECT-26246021, KAKENHI-PROJECT-26610120
[Journal Article] Pressure-Induced Metallic Conductivity in the Single-Component Molecular Crystal [Ni(dmit)2]2014
- Author(s)
  H-B Cui, T. Tsumuraya, T. Miyazaki, Y. Okano, R. Kato
- Journal Title
  
  Eur. J. Inorg. Chem. 2014
  
  Volume: 2014 Issue: 24 Pages: 3837-3840
- DOI
  10.1002/ejic.201400130
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PROJECT-22224006
[Journal Article] Efficient Calculations with Multisite Local Orbitals in a Large-Scale DFT Code CONQUEST2014
- Author(s)
  A. Nakata, D. R. Bowler and T. Miyazaki
- Journal Title
  
  J. Chem. Theory Comput.
  
  Volume: 10 Issue: 11 Pages: 4813-4822
- DOI
  10.1021/ct5004934
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PROJECT-25810015, KAKENHI-PROJECT-26246021, KAKENHI-PROJECT-26610120
[Journal Article] Large-scale DFT simulations with a linear-scaling DFT code CONQUEST on K-computer2014
- Author(s)
  M. Arita, S. Arapan, D. R. Bowler and T. Miyazaki
- Journal Title
  
  Journal of Advanced Simulation in Science and Engineering
  
  Volume: 1 Issue: 1 Pages: 87-97
- DOI
  10.15748/jasse.1.87
- NAID
  130004709207
- ISSN
  2188-5303
- Language
  English
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PROJECT-26246021, KAKENHI-PROJECT-26610120
[Journal Article] Angle-resolved photoemission study of the electronic structure of the quantum spin liquid EtMe3Sb[Pd(dmit)2]22014
- Author(s)
  Q. Q. Ge, H. C. Xu, X. P. Shen, M. Xia, B. P. Xie, F. Chen, Y. Zhang, R. Kato, T. Tsumuraya, T. Miyazaki, M. Matunami, S. Kimura, and D. L. Feng
- Journal Title
  
  Phys. Rev. B
  
  Volume: 89 Issue: 7 Pages: 75105-75105
- DOI
  10.1103/physrevb.89.075105
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ Atoms2014
- Author(s)
  M. Arita, D. R. Bowler and T. Miyazaki
- Journal Title
  
  J. Chem. Theory Comput
  
  Volume: 10 Issue: 12 Pages: 5419-5425
- DOI
  10.1021/ct500847y
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PROJECT-26246021, KAKENHI-PROJECT-26610120
[Journal Article] Cation Dependence of the Electronic States in Molecular Triangular Lattice System β'-X[Pd(dmit)2]2: A First-Principles Study2013
- Author(s)
  T. Tsumuraya, H. Seo, M. Tsuchiizu, R. Kato, and T. Miyazaki
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 82 Issue: 3 Pages: 33709-33709
- DOI
  10.7566/jpsj.82.033709
- NAID
  210000132445
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22224006, KAKENHI-PLANNED-23108002, KAKENHI-PROJECT-24740232, KAKENHI-PLANNED-20110003, KAKENHI-PLANNED-20110004, KAKENHI-PLANNED-22104005, KAKENHI-PUBLICLY-24108511
[Journal Article] Structural relaxation and binding energy calculations of FK506 binding protein complexes using the large-scale DFT code CONQUEST2013
- Author(s)
  T. Otsuka, N. Okimoto, M. Taiji, D. R. Bowler, T. Miyazaki
- Journal Title
  
  IOP Journal of Physics: Conference Series
  
  Volume: 454 Pages: 12057-12057
- DOI
  10.1088/1742-6596/454/1/012057
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Density-functional theory study of gramicidin A ion channel geometry and electronic properties2013
- Author(s)
  M. Todorovic, D. R. Bowler, M. J. Gillan, T. Miyazaki
- Journal Title
  
  Journal of the Royal Society Interface
  
  Volume: 10 Issue: 89 Pages: 20130547-20130547
- DOI
  10.1098/rsif.2013.0547
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] A quantum chemistry study of Ds-Pa unnatural DNA base pair2012
- Author(s)
  T.Otsuka, T.Miyazaki
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] O(N) methods in electronic structure calculations2012
- Author(s)
  D.R.Bowler, T.Miyazaki
- Journal Title
  
  Report on Progress in Physics
  
  Volume: 75 Pages: 36503-36503
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Quasiparticles and Fermi liquid behavior in an organic metal2012
- Author(s)
  T. Kiss, K. Ishizaka
- Journal Title
  
  Nature Commun
  
  Volume: 3 Issue: 1 Pages: 1089-1094
- DOI
  10.1038/ncomms2079
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20110005, KAKENHI-PLANNED-22104010, KAKENHI-PROJECT-22224006, KAKENHI-PROJECT-24246022, KAKENHI-PLANNED-22104005
[Journal Article] Linear-scaling constrained density functional theory in CONQUEST2011
- Author(s)
  A.M.P.Sena, T.Miyazaki, D.R.Bowler
- Journal Title
  
  J.Chem.Theory Comput. 7
  
  Pages: 884-889
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] Linear Scaling Constrained Density Functional Theory in CONQUEST2011
- Author(s)
  M.P.Sena, T.Miyazaki, D.R.Bowler
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Linear-scaling constrained density functional theory in CONQUEST2011
- Author(s)
  A.M.P.Sena, 宮崎剛、D.R.Bowler
- Journal Title
  
  JOURNAL OF CHEMICAL THEORY AND COMPUTATION
  
  Volume: 7 Pages: 884-889
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] Calculation for millions of atoms with density functional theory : linear-scaling shows its potential2010
- Author(s)
  D.R.Bowler, T.Miyazaki
- Journal Title
  
  J.Phys.: Condens.Matter 22
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] 大規模系への現状と課題(特集:第一原理計算の現状と課題)2009
- Author(s)
  宮崎剛
- Journal Title
  
  日本物理学会誌 64
  
  Pages: 248-255
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] Non-self-consistent density functional theory exchange-correlation forces for GGA functionals2009
- Author(s)
  A.S.Torralba, D.R.Bowler, T.Miyazaki, M.J.Gillan
- Journal Title
  
  J.Chem.Theory Comput. 5
  
  Pages: 1499-1505
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] 大規模系への現状と課題(特集:第一原理計算の現状と課題)2009
- Author(s)
  宮崎剛、押山淳
- Journal Title
  
  日本物理学会誌 64
  
  Pages: 248-255
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] DNA系に対する大規模第一原理計算2008
- Author(s)
  宮崎剛
- Journal Title
  
  固体物理(アグネ技術センター) 43
  
  Pages: 849-858
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] The Energetics of Hut-Cluster Self-Assembly in Ge/Si(001) from Linear-Scaling DFT Calculations2008
- Author(s)
  Tsuyoshi Miyazaki, David R.Bowler, Michael J.Gillan, Takahisa Ohno
- Journal Title
  
  J.Phys.Soc.Jpn. 77
- NAID
  110007021653
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] DNA系に対する大規模第一原理計算2008
- Author(s)
  宮崎剛、大塚教雄
- Journal Title
  
  固体物理(アグネ技術センター) 43
  
  Pages: 849-858
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] The Energetics of Hut-Cluster Self-Assembly in Ge/Si(001)from Linear-Scaling DFT Calculations2008
- Author(s)
  Tsuyoshi Miyazaki
- Journal Title
  
  J. Phys. Soc. Jpn. 77
- NAID
  110007021653
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Accuracy of order-N density-functional theory calculations on DNA systems using CONQUEST2008
- Author(s)
  T.Otsuka, T.Miyazaki, T.Ohno, D.R.Bowler, M.J.Gillan
- Journal Title
  
  J.Phys.: Condens.Matter 20
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] Accuracy of order-N DFT calculations on DNA systems using CONQUEST2008
- Author(s)
  T. Otsuka, T. Miyazaki, T. Ohno, D. R. Bowler and M. J. Gillan
- Journal Title
  
  J. Phys. Condens. Matter20
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] The Energetics of hutcluster self-assembly in Ge/Si(001) from linear-scaling DFT calculations2008
- Author(s)
  T. Miyazaki, D. R. Bowler, M. J. Gillan and T. Ohno
- Journal Title
  
  J. Phys. Soc. Jpn 77
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] The Energetics of Hut-Cluster Self-Assembly in Ge/Si (001) from Linear-Scaling DFT Calculations2008
- Author(s)
  Tsuyoshi Miyazaki
- Journal Title
  
  J. Phys. Soc. Jpn. 77
- NAID
  110007021653
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] Pseudo-atomic orbitals as basis sets for the O(N) DFT code CONQUEST2008
- Author(s)
  A.S.Torralba, M.Todorovic, V.Brazdova, R.Choudhury, T.Miyazaki, M.J.Gillan, D.R.Bowler
- Journal Title
  
  J.Phys.: Condens.Matter 20
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] Linear-scaling DFT calculations with the CONQUEST code2007
- Author(s)
  D.R. Bowler, A.S. Torralba, T. Miyazaki, T. Ohno, and M. J. Gillan
- Journal Title
  
  Psi-K NewsLetter 81
  
  Pages: 55-68
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Order-N first-principles calculations with the CONQUEST code2007
- Author(s)
  M. J. Gillan, D. R. Bowler, A. S. Torralba and T. Miyazaki
- Journal Title
  
  Comp. Phys. Commun. 177
  
  Pages: 14-18
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18028025
[Journal Article] Linear-scaling DFT calculations with the CONQUEST code2007
- Author(s)
  D. R. Bowler, A. S. Torralba, T. Miyazaki, T. Ohno and M. J. Gillan
- Journal Title
  
  Psi-k Newsletter 81
  
  Pages: 55-68
- Data Source
  KAKENHI-PROJECT-18028025
[Journal Article] DFT calculations of Ge(105): local basis sets and O (N) methods2007
- Author(s)
  T. Miyazaki
- Journal Title
  
  Phys. Rev. B 76
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Density Functional calculations of Ge(105): Local basis sets and O(N) methods2007
- Author(s)
  T. Miyazaki, D. R. Bowler, R. Choudhury and M. J. Gillan
- Journal Title
  
  Phys. Rev B 76
  
  Pages: 115327-11
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18028025
[Journal Article] First-Principles Study of Electronic Structure in α-(BEDT-TTF) 2I3 at Ambient Pressure and with Uniaxial Strain2006
- Author(s)
  H.Kino, T.Miyazaki
- Journal Title
  
  Journal of Physical Society of Japan 75・3
  
  Pages: 34704-34704
- Data Source
  KAKENHI-PROJECT-16038227
[Journal Article] Recent progress with large-scale ab initio calculations : the CONQUEST code2006
- Author(s)
  D.R.Bowler, R.Choudhury, M.J.Gillan, T.Miyazaki
- Journal Title
  
  Physica Status Solidi(b) 243
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] First-principles study of the pressure effects on β' -(BEDT-TTF) 2AuCl22006
- Author(s)
  T.Miyazaki, H.Kino
- Journal Title
  
  Physical Review B 73・3
  
  Pages: 35107-35107
- Data Source
  KAKENHI-PROJECT-16038227
[Journal Article] Recent progress with large-scale ab initio calculations : the CONQUEST code2006
- Author(s)
  D.R.Bowler, R.Choudhury, M.J.Gillan, T.Miyazaki
- Journal Title
  
  phys. stat. sol. (b) 243
  
  Pages: 989-1000
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Theoretical Study of Phase Diagram of beta'-(BEDT-TTF)2AuCl2 at Hydrostatic Pressure2006
- Author(s)
  H.Kino, H.Kontani, T.Miyazaki
- Journal Title
  
  Journal of Physical Society of Japan 75・10
  
  Pages: 104702-104702
- Data Source
  KAKENHI-PROJECT-18028025
[Journal Article] Recent progress with large-scale ab initio calculations : tne CONQUEST code2006
- Author(s)
  D.R.Bowler, R.Choudhury, M.J.Gillan, T.Miyazaki
- Journal Title
  
  Phys. stat. sol. b 243・5
  
  Pages: 989-1000
- Data Source
  KAKENHI-PROJECT-18028025
[Journal Article] First-principles Study of Electronic Structure in alpha-(BEDT-TTF)2I3 at Ambient Pressure and with Uniaxial Strain2006
- Author(s)
  H.Kino, T.Miyazaki
- Journal Title
  
  Journal of Physical Society of Japan 75・3
  
  Pages: 34704-34704
- Data Source
  KAKENHI-PROJECT-18028025
[Journal Article] First-principles Study of the pressure effects on beta'-(BEDT-TTF)2AuCl22006
- Author(s)
  T.Miyazaki, H.Kino
- Journal Title
  
  Physical Review B 73・3
  
  Pages: 35107-35107
- Data Source
  KAKENHI-PROJECT-18028025
[Journal Article] MgO表面上のAu_n微粒子に対する第一原理計算2005
- Author(s)
  呉東和, 宮崎剛, 大野隆央
- Journal Title
  
  表面物理 26・10
  
  Pages: 604-610
- Data Source
  KAKENHI-PROJECT-16038227
[Journal Article] Large-scale ab-initio calculations2005
- Author(s)
  T.Miyazaki, R.Choudhury, D.R.Bowler, M.J.Gillan
- Journal Title
  
  Proc.of 3rd Int.Conf.on Comput.Mode.and Simul.of Materials (ed. P.Vincenzini.)(Techna Group, Faenza, Italy) 42
  
  Pages: 3-12
- Data Source
  KAKENHI-PROJECT-16038227
[Journal Article] Atomic force algorithms in density functional theory electronic-structure techniques based on local orbitals2004
- Author(s)
  Tsuyoshi Miyazaki
- Journal Title
  
  Journal of Chemical Physics 121
  
  Pages: 6186-6194
- Data Source
  KAKENHI-PROJECT-16038227
[Presentation] 大規模第一原理計算プログラム CONQUESTの開発と公開：　ナノ構造物質の原子と電子の振る舞いをコンピュータで解明2022
- Author(s)
  宮崎剛、中田彩子
- Organizer
  ＳＡＴテクノロジー・ショーケース
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Search for a characteristic low-dimensional space by local structures and dimensionality reduction2022
- Author(s)
  Ryo Tamura, Jianbo Lin, Yasunori Futamura, Tetsuya Sakurai, and Tsuyoshi Miyazaki
- Organizer
  WPI-MANA INTERNATIONAL SYMPOSIUM 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K20816
[Presentation] Large-Scale DFT Calculations for Materials with Complicated Structures2021
- Author(s)
  Ayako Nakata, Tsuyoshi Miyazaki, David R. Bowler
- Organizer
  MANA International Symposium 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Development of a large-scale DFT code CONQUEST and its applications on GaN systems2021
- Author(s)
  Tsuyoshi Miyazaki and Masato Oda
- Organizer
  International Symposium of Wide Gap Semiconductor Growth, Process and Device Simulation 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] 大規模第一原理計算プログラムCONQUESTの開発とナノ構造物質への応用2019
- Author(s)
  宮崎剛
- Organizer
  触媒・電池元素戦略研究拠点　第14回公開シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Large-scale DFT study of complex surfaces and interfaces with the CONQUEST code2019
- Author(s)
  T. Miyazaki
- Organizer
  The 43rd International Conference and Exposition on Advanced Ceramics and Composites (ICACC 2019)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Linear-scaling ab initio molecular dynamics study of complex structure of materials with the CONQUEST code2019
- Author(s)
  J. Lin, Z. Raza, D. R. Bowler and T. Miyazaki
- Organizer
  The 10th International Conference of the Asian Consortium on Computational Materials Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Linear-scaling DFT simulations of complex nano-structured materials with the CONQUEST code2019
- Author(s)
  Tsuyoshi Miyazaki
- Organizer
  10th International Conference on Materials for Advanced Technologies
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Site- and size-dependence of atomic and electronic structures of metallic nanoparticles by large-scale DFT calculations2019
- Author(s)
  Ayako Nakata, David R. Bowler, Tsuyoshi Miyazaki
- Organizer
  14th International Conference on the Structure of Non-Crystalline Materials
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Large-scale DFT study of complex nano-structured materials with the CONQUEST code2019
- Author(s)
  T. Miyazaki
- Organizer
  Materials Meeting 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] 大規模DFT計算によるPd@Agコアシェルナノ粒子触媒の構造・電子状態解析2019
- Author(s)
  中田彩子、宮崎剛
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Atomic and electronic structure analysis of metallic nanoparticle catalysts by large-scale DFT calculations2019
- Author(s)
  Ayako Nakata, Tsuyoshi Miyazaki
- Organizer
  Materials Meeting 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Linear-scaling First-principles Molecular Dynamics Simulations of Complex Nano-structured Materials with the CONQUEST Code2019
- Author(s)
  Tsuyoshi Miyazaki
- Organizer
  4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices (MoD-PMI 2019)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Large-scale DFT study on Pd@Ag core-shell nanoparticles2019
- Author(s)
  Ayako Nakata, David R. Bowler, Tsuyoshi Miyazaki
- Organizer
  The 22nd Asian Workshop on First-Principles Electronic Structure Calculations
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Atomic and electronic structure analysis of Pd@Ag core-shell nanoparticles by large-scale DFT calculations2019
- Author(s)
  Ayako Nakata, Tsuyoshi Miyazaki
- Organizer
  10th Congress of the International Society of Theoretical Chemical Physics (ISTCP-X)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01143
[Presentation] Million-atom DFT calculations with the CONQUEST code2016
- Author(s)
  Tsuyoshi Miyazaki
- Organizer
  APCTCC7 (The 7th Asia-Pacific Conference of Theoretical and Computational Chemistry)
- Place of Presentation
  Kaohsiung (Taiwan)
- Year and Date
  2016-01-25
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] マルチサイト法による大規模第一原理計算：数値最適化と応用計算2016
- Author(s)
  中田彩子, David BOWLER, 宮崎剛
- Organizer
  日本物理学会第71回年次大会
- Place of Presentation
  東北学院大学（宮城県）
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] Efficient and accurate local orbital basis functions in a linear-scaling DFT code CONQUEST2016
- Author(s)
  A. Nakata, D. Bowler, T. Miyazaki
- Organizer
  APCTCC7
- Place of Presentation
  Kaohsiung, (Taiwan)
- Year and Date
  2016-01-25
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] 第一原理計算による水素結合系κ-(H/D)3(Cat-EDT-TTF/ST)2の構造と電子状態の研究2015
- Author(s)
  圓谷貴夫、妹尾仁嗣、宮崎剛、加藤礼三
- Organizer
  日本物理学会第70回年次大会
- Place of Presentation
  東京都新宿区、早稲田大学
- Year and Date
  2015-03-24
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Linear scaling first-principles molecular dynamics for very large systems with the CONQUEST code2015
- Author(s)
  T. Miyazaki
- Organizer
  250th American Chemical Society National Meeting & Exposition
- Place of Presentation
  Boston (USA)
- Year and Date
  2015-08-16
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] Efficient calculations with Multi-site local orbital basis functions in order-N DFT code CONQUEST2015
- Author(s)
  A. Nakata, D. Bowler, T. Miyazaki
- Organizer
  2015 ICQC Satellite Symposium in Kobe
- Place of Presentation
  Kobe University (Japan)
- Year and Date
  2015-06-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] First-Principles Study of Dirac Cones in a Single-Component Molecular Crystal under High Pressure2015
- Author(s)
  圓谷貴夫、崔亨波、木野日織、宮崎剛、加藤礼三
- Organizer
  International Workshop on Dirac Electrons in Solids
- Place of Presentation
  東京都文京区、東京大学
- Year and Date
  2015-03-14
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Large-scale DFT calculations with multi-site basis functions2015
- Author(s)
  A. Nakata, D. Bowler, T. Miyazaki
- Organizer
  DFT 2015
- Place of Presentation
  Debrecen (Hungary)
- Year and Date
  2015-08-31
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] Efficient optimization of local orbitals and eigenstate calculations in linear-scaling DFT program CONQUEST2015
- Author(s)
  A. Nakata, D. Bowler, Y. Futamura, T. Sakurai, T. Miyazaki
- Organizer
  The 18th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  the University of Tokyo (Tokyo)
- Year and Date
  2015-11-09
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] Efficient optimization of local orbitals and eigenstate calculations in O(N) DFT program CONQUEST2015
- Author(s)
  A. Nakata, D. Bowler, Y. Futamura, T. Sakurai, T. Miyazaki
- Organizer
  Ψk-2015 conference
- Place of Presentation
  San Sebastian (Spain)
- Year and Date
  2015-09-06
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] Linear scaling first-principles molecular dynamics for very large systems with the CONQUEST code2015
- Author(s)
  Tsuyoshi Miyazaki
- Organizer
  250th American Chemical Society National Meeting & Exposition
- Place of Presentation
  Boston (USA)
- Year and Date
  2015-08-16
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] The structural and electronic properties of Ge/Si core-shell nanowires: Linear-scaling DFT study2015
- Author(s)
  J. Lin, A. Nakata, D. Bowler, T. Miyazaki
- Organizer
  The 18th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  the University of Tokyo (Tokyo)
- Year and Date
  2015-11-09
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26246021
[Presentation] Large-scale first-principles molecular dynamics study on Si/Ge core-shell nanowires using a linear-scaling technique.2015
- Author(s)
  Tsuyoshi Miyazaki
- Organizer
  CECAM WS: Next generation quantum based molecular dynamics
- Place of Presentation
  Bremen (Germany)
- Year and Date
  2015-07-13
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] 多軌道系X[Pd(dmit)2]2におけるスピンおよび電荷格子秩序相の競合2014
- Author(s)
  妹尾仁嗣、圓谷貴夫、土射津昌久、宮崎剛、加藤礼三
- Organizer
  日本物理学会2014年秋季大会
- Place of Presentation
  愛知県春日井市、中部大学
- Year and Date
  2014-09-09
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] 第一原理計算による単一成分分子性結晶の圧力下における電子構造2014
- Author(s)
  圓谷貴夫、崔亨波、宮崎剛、加藤礼三
- Organizer
  日本物理学会2014年秋季大会
- Place of Presentation
  愛知県春日井市、中部大学
- Year and Date
  2014-09-09
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] 高圧下における分子性導体(DX-DCNQI)2Cu (X = I , Br, Me)の電子状態2014
- Author(s)
  圓谷貴夫、崔亨波、宮崎剛、加藤礼三
- Organizer
  日本物理学会第69回年次大会
- Place of Presentation
  平塚市
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Electronic Structure and Role of Hydrogen Bonding in Molecular Conductors, κ-H3(Cat-EDT-TTF)2 and κ-H3(Cat-EDT-STF)22014
- Author(s)
  圓谷貴夫、妹尾仁嗣、加藤礼三、宮崎剛
- Organizer
  Computational Science Workshop 2014 (CSW2014)
- Place of Presentation
  茨城県つくば市、つくば国際会議場
- Year and Date
  2014-08-21
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Fragment Model and Phase Competition in Pd(dmit)2-based Multi-Orbital Molecular Conductors2014
- Author(s)
  妹尾仁嗣、圓谷貴夫、土射津昌久、宮崎剛、加藤礼三
- Organizer
  International Conference on Science and Technology of Synthetic Metals 2014 (ICSM2014)
- Place of Presentation
  Turku, Finland
- Year and Date
  2014-07-02
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Ultra large-scale DFT simulations using a linear-scaling code CONQUEST2014
- Author(s)
  8. Tsuyoshi Miyazaki
- Organizer
  International Workshop on Eigenvalue Problems: Algorithms; Software and Applications
- Place of Presentation
  EPOCHAL TSUKUBA, Tsukuba, Japan
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] 三角格子をもつ分子性導体β'-X[Pd(dmit)2]2に対する理論的研究2014
- Author(s)
  圓谷貴夫、妹尾仁嗣、土射津昌久、宮崎剛、加藤礼三
- Organizer
  第3回領域会議公開シンポジウム
- Place of Presentation
  宮城県仙台市、東北大学
- Year and Date
  2014-09-24
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] 高圧下における分子性導体(DI-DCNQI)2Cuの電子状態2013
- Author(s)
  加藤礼三、崔亨波、圓谷貴夫、宮崎剛
- Organizer
  日本物理学会2013年秋季大会
- Place of Presentation
  徳島市
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] 複雑生体系に対する全原子第一原理計算2013
- Author(s)
  宮崎剛
- Organizer
  日本物理学会第６８回年次大会、領域11, 9, 7, 12合同シンポジウム「水素結合と分散力に関する第一原理計算の現状と課題」
- Place of Presentation
  広島大学東広島キャンパス, 広島
- Year and Date
  2013-03-26
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Multiple Band Character of a π-d Molecular Conductor (DI-DCNQI)2Cu under High Pressure2013
- Author(s)
  加藤礼三、崔亨波、圓谷貴夫、宮崎剛
- Organizer
  International School and Symposium on Molecular Materials (ISSMM2013)
- Place of Presentation
  大田区
- Invited
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Cation Dependence of the Electronic States in Molecular Dimer-Mott Insulators β'-(Cation)[Pd(dmit)2]2: A First-Principles Study2013
- Author(s)
  圓谷貴夫、妹尾仁嗣、土射津昌久、加藤礼三、宮崎剛
- Organizer
  The International Conference on Strongly Correlated Electron Systems (SCES2013)
- Place of Presentation
  文京区
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] オーダーN法DFT計算プログラムの開発とゲルマニウムハットクラスターの成長過程に対する応用2013
- Author(s)
  9. 宮崎剛
- Organizer
  応用数理学会「産業における応用数理」
- Place of Presentation
  筑波大学東京キャンパス、文京区、東京
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Metallic State Induced by High Pressure in Single Component Molecular Crystals [Ni(dmit)2] and [Ni(ddt)2]2013
- Author(s)
  崔亨波、圓谷貴夫、宮崎剛、岡野芳則、加藤礼三
- Organizer
  The 12th Asia Pacific Physics Conference of AAPPS　（APPC12）
- Place of Presentation
  千葉市
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] 第一原理計算によるκ-H3(Cat-EDT-TTF)2の電子状態2013
- Author(s)
  圓谷貴夫、妹尾仁嗣、宮崎剛、加藤礼三
- Organizer
  日本物理学会2013年秋季大会
- Place of Presentation
  徳島市
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] 複雑生体系に対する全原子第一原理計算2013
- Author(s)
  宮崎剛
- Organizer
  分子研研究会「生物物質科学の展望」
- Place of Presentation
  分子科学研究所, 愛知
- Year and Date
  2013-01-10
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] First-Principles Study of the Structural and Electronic Properties of κ-H3(Cat-EDT-TTF)2 and κ-H3(Cat-EDT-ST)22013
- Author(s)
  圓谷貴夫、妹尾仁嗣、大滝大樹、加藤礼三、宮崎剛
- Organizer
  The 10th International Symposium on Crystalline Organic Metals Superconductors and Magnets (ISCOM2013)
- Place of Presentation
  Montreal, Canada
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] オニウムカチオンを有する白金dmit錯体塩の構造と物性2012
- Author(s)
  野村光城、田嶋陽子、崔亨波、Abdel Jawad Majed、圓谷貴夫、宮崎剛、加藤礼三
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  慶応大学(横浜市)
- Year and Date
  2012-03-28
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] オーダーN法を用いた大規模第一原理計算2012
- Author(s)
  宮崎剛
- Organizer
  精密工学会超精密加工専門委員会第63回研究会
- Place of Presentation
  大阪ガーデンパレス
- Year and Date
  2012-01-23
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] オーダーN法第一原理計算手法の最近の発展2012
- Author(s)
  宮崎剛
- Organizer
  第25期CAMMフォーラム本例会
- Place of Presentation
  東京
- Year and Date
  2012-03-02
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Atomic and electronic structures of BEDT-TTF and M(dmit)2 systems at high pressures: A first-principles study of organic molecular solids2012
- Author(s)
  T. Miyazaki
- Organizer
  IUCrHP2012/QuBS2012 “Advances in Crystallography at High Pressures” International Symposium of the Quantum Beam Science Directorate
- Place of Presentation
  HOTEL LAKE VIEW MITO, Ibaraki
- Year and Date
  2012-09-23
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] オーダーN法による超大規模第一原理計算手法の開発2012
- Author(s)
  宮崎剛
- Organizer
  2012年ハイパフォーマンスコンピューティングと計算科学シンポジウム
- Place of Presentation
  名古屋大学豊田講堂
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] 新規単一成分分子性結晶[Ni(dmise)_2]の結晶構造および電気的性質2012
- Author(s)
  崔亨波、圓谷貴夫、宮崎剛、加藤礼三
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  慶応大学(横浜市)
- Year and Date
  2012-03-28
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] オーダーN法DFT計算プログラムの開発とDNA系に対する適用2011
- Author(s)
  大塚教雄, 宮崎剛, David R.Bowler, Michael J.Gillan
- Organizer
  次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
- Place of Presentation
  甲南大学(兵庫県)
- Year and Date
  2011-02-23
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Binding energy calculations of FKBP complexes using the order-N DFT code CONQUEST2011
- Author(s)
  大塚教雄, 宮崎剛, 沖本憲明, 泰地真弘人, David R.Bowler, Michael J.Gillan
- Organizer
  第3回バイオスーパーコンピューティングシンポジウム
- Place of Presentation
  計算科学研究機構(兵庫県)
- Year and Date
  2011-02-22
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] イオンチャネルgramicidin Aに対するオーダーN法大規模第一原理計算2011
- Author(s)
  有田通朗、宮崎剛、M.Todorovic, 篠田渉、D.R,Bowler
- Organizer
  日本物理学会第66回年次大会
- Place of Presentation
  (震災のため講演中止(予稿集))
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations with a linear-scaling code CONQUEST2010
- Author(s)
  宮崎剛, D.R.Bowler, M.J.Gillanq
- Place of Presentation
  大阪大学コンベンションセンター(吹田市)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Structure relaxation of FKBP(FK506 binding protein) complexes using the order-N DFT code CONQUEST2010
- Author(s)
  Takao Otsuka, Tsuyoshi Miyazaki, Noriaki Okimoto, Makoto Taiji, David R.Bowler, Michael J.Gillan
- Organizer
  Psi_k Conference 2010
- Place of Presentation
  ベルリン(ドイツ)
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Enzyme-induced polarization calculations of dihydrofolate reductase ligands using the linear scaling DFT code Conquest2010
- Author(s)
  A.S.Torralba、大塚教雄、Milica Todorovic, D.R.Bowler, 宮崎剛
- Organizer
  Psi-k Conference 2010
- Place of Presentation
  ベルリン(ドイツ)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] O(N) DFT Study of biological systems using the Conquest code2010
- Author(s)
  宮崎剛、大塚教雄、Milica Todorovic, D.R.Bowler, M.J.Gillan
- Organizer
  Psi-k Conference 2010
- Place of Presentation
  ベルリン(ドイツ)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] オーダーN法第一原理計算を用いたDNA系の全エネルギーと力計算-古典力場計算との比較-2010
- Author(s)
  大塚教雄, 宮崎剛, David R.Bowler, Michael J.Gillan
- Organizer
  第24回分子シミュレーション討論会
- Place of Presentation
  福井県民ホール(福井県)
- Year and Date
  2010-11-24
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] オーダーN法第一原理計算プログラムCONQUESTによる大規模計算2010
- Author(s)
  宮崎剛
- Organizer
  「学際計算科学による新たな知の発見・統合・創出」シンポジウム
- Place of Presentation
  筑波大学(茨城県)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations with a linear-scaling code CONQUEST2010
- Author(s)
  宮崎剛, D.R.Bowler, M.J.Gillan
- Organizer
  International Conference on Core Research and Engineering Science
- Place of Presentation
  大阪大学コンベンションセンター(大阪府)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Million atom DFT simulations : the Conquest O(N) code2010
- Author(s)
  D.R.Bowler, 宮崎剛, Mike Gillan
- Organizer
  Psi-k Conference 2010
- Place of Presentation
  ベルリン(ドイツ)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] オーダーN法第一原理計算プログラムCONQUESTの開発と応用計算2010
- Author(s)
  宮崎剛
- Organizer
  第4回物性科学領域横断研究会
- Place of Presentation
  東京大学武田知ビル(東京都)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] オーダーN法第一原理計算を用いたDNA系の全エネルギーと力の計算2010
- Author(s)
  大塚教雄, 宮崎剛, David R.Bowler, Michael J.Gillan
- Organizer
  シンポジウム「電子状態理論の新機軸」
- Place of Presentation
  岡崎コンファレンスセンター(愛知県)
- Year and Date
  2010-08-10
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] gramicidin Aの構造と電子状態に対する第一原理計算2010
- Author(s)
  宮崎剛、大塚教雄、Milica Todorovic, D.R.Bowler, M.J.Gillan
- Organizer
  日本物理学会 2010年秋季大会
- Place of Presentation
  大阪府立大学(大阪府)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] O(N) DFT Study of biological systems using the Conquest code2010
- Author(s)
  宮崎剛、大塚教雄、Milica Todorovic, D.R. Bowler, M.J. Gillan,
- Organizer
  Psi-K Conference 2010
- Place of Presentation
  ベルリン(ドイツ)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] オーダーN法第一原理計算プログラムCONQUESTの開発と応用計算2009
- Author(s)
  宮崎剛
- Organizer
  第5回「計算科学による新たな知の発見・統合・創出」シンポジウム
- Place of Presentation
  筑波大学(つくば市)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT study using CONQUEST code2009
- Author(s)
  宮崎剛
- Organizer
  International Symposium of Electronic Structure Calculations-Theory, Correlated and Large Scale Systems and Numerical Methods-
- Place of Presentation
  東京大学(東京都)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] オーダーN法第一原理計算プログラムCONQUESTの開発と応用計算2009
- Author(s)
  宮崎剛
- Organizer
  東京大学物性研究所短期研究会「計算物理学」
- Place of Presentation
  東京大学物性研究所(柏市)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale order-N DFT calculations using the CONQUEST code2009
- Author(s)
  T. Miyazaki
- Organizer
  2009 MSL workshop 'Accessing large length and time scales with accurate quantum methods'
- Place of Presentation
  University College Lond on ロンドン(英国)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT study using CONQUEST code2009
- Author(s)
  宮崎剛
- Organizer
  International Symposium of Electronic Structure Calculations-Theory, Correlated and Large Scale Systems and Numerical Methods-
- Place of Presentation
  東京大学(文京区)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] DNAの構造と電子状態に対するオーダーN法第一原理計算32009
- Author(s)
  大塚教雄, 宮崎剛, 大野隆央, D. R. Bowler, M. J. Gillan
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学東京
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on DNA systems with the order-N DFT program CONQUEST2009
- Author(s)
  T. Otsuka, T. Miyazaki, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  14th International Workshop on Computational Physics and Material Science
- Place of Presentation
  The Abdus Salam Internatioanl Centre for Theoretical Physics トリエステ(イタリア)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale density-functional theory study of gramicidin A ion channel geometry and electronic properties2008
- Author(s)
  M. Todorovic, T. Miyazaki, T. Ohno
- Organizer
  E-MRS Fall Meeting 2008
- Place of Presentation
  Warsaw University of Technology ワルシャワ(ポーランド)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] 静水圧下のa-(BEDT-TTF)2I3の第一原理電子状態2008
- Author(s)
  木野日織、宮崎剛
- Organizer
  日本物理学会第63回年次大会
- Place of Presentation
  近畿大学本部キャンパス
- Year and Date
  2008-03-24
- Data Source
  KAKENHI-PROJECT-18028025
[Presentation] DNAの構造と電子状態に対するオーダーN法DFT計算22008
- Author(s)
  大塚教雄, 宮崎剛, 大野隆央, D. R. Bowler, M. J. Gillan
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場福岡
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on biological systems with the CONQUEST code2008
- Author(s)
  T.Miyazaki, T.Otsuka, M.Todorovic, T.Ohno, D.R.Bowler, M.J.Gillan
- Organizer
  The 11th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  高雄(台湾)
- Year and Date
  2008-11-30
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] DNAの構造と電子状態に対するオーダーN法第一原理計算22008
- Author(s)
  大塚教雄、宮崎剛、大野隆央、D.R.Bowler、M.J.Gillan
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手
- Year and Date
  2008-09-20
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on biological systems using a linear-scaling DFT code CONQUEST2008
- Author(s)
  T. Miyazaki
- Organizer
  1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] Large-scale DFT calculations on biological systems with the CONQUEST code2008
- Author(s)
  T. Miyazaki, T. Otsuka, M. Todorovic, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  The 11th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  National Sun Yat-sen University 高雄(台湾)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on biological systems using a linear-scaling DFT code CONQUEST2008
- Author(s)
  T. Miyazaki, T. Otsuka, M. Todorovic, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館東京
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations with the CONQUEST code2008
- Author(s)
  T. Miyazaki
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2008
- Place of Presentation
  クレタ(ギリシャ)
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] Large-scale DFT calculations with the CONQUEST code2008
- Author(s)
  T. Miyazaki, D. R. Bowler, M. J. Gillan, T. Otsuka, T. Ohno
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2008
- Place of Presentation
  Hotel Belvedere Imperial クレタ(ギリシャ)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on biological systems with the CONQUEST code2008
- Author(s)
  T. Miyazaki
- Organizer
  The 11th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  高雄(台湾)
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] DNAの構造と電子状態に対するオーダーN法第一原理計算22008
- Author(s)
  大塚教雄, 宮崎剛, 大野隆央, D. R. Bowler, M. J. Gillan
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学上田キャンパス岩手
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Applications of the DFT linear scaling code Conquest to biochemical systems2008
- Author(s)
  A. S. Torralba, T. Miyazaki, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  7th European Conference on Computational Chemistry
- Place of Presentation
  San Servolo ベニス(イタリア)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Developments and applications of a linear-scaling DFT code CONQUEST2007
- Author(s)
  T. Miyazaki
- Organizer
  Foundations and Applications of the Density Functional Theory
- Place of Presentation
  Kashiwa (Japan)
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] A DFT study on the structural stability of Ge 3D nanostructures on Si (001) using CONQUEST2007
- Author(s)
  T. Miyazaki
- Organizer
  Linear-scaling ab initio calculations: applications and future directions (CECAM)
- Place of Presentation
  Lyon (France)
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] DNAの構造と電子状態に対するオーダーN法第一原理計算2007
- Author(s)
  大塚教雄、宮崎剛、大野隆央、D.R.Bowler, M.J. Gjllan
- Organizer
  日本物理学会第62回年次秋季大会
- Place of Presentation
  北海道大学札幌キャンパス
- Year and Date
  2007-09-21
- Data Source
  KAKENHI-PROJECT-18028025
[Presentation] A DFT study on the structural stability of Ge 3D nanostructures on Si(001) using CONQUEST2007
- Author(s)
  T. Miyazaki
- Organizer
  CECAM
- Place of Presentation
  Lyon, France
- Year and Date
  2007-08-01
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] DNAの構造と電子状態に対するオーダーN法DFT計算2007
- Author(s)
  大塚教雄、宮崎剛、大野隆央、D.R.Bowler, M.J. Gjllan
- Organizer
  第一回分子化学討論会2007
- Place of Presentation
  東北大学川内北キャンパス
- Year and Date
  2007-09-17
- Data Source
  KAKENHI-PROJECT-18028025
[Presentation] Development and applications of a linear-scaling DFT code CONQUEST
- Author(s)
  Tsuyoshi Miyazaki
- Organizer
  4th Int. Workshop on Massively Parallel Programming Now in Quantum Chemistry
- Place of Presentation
  University of Tokyo (Bunkyo-ku, Tokyo, Japan)
- Year and Date
  2014-11-23 – 2014-11-24
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Multiple Band Molecular Conductors based on Pt(dmit)2 Complex (dmit = 1,3-dithiol-2-thione-4,5-dithiolate)
- Author(s)
  野村光城、圓谷貴夫、崔亨波、Abdel Jawad Majed、宮崎剛、加藤礼三
- Organizer
  MDF2012 (International Symposium on Material Science Opened by Molecular Degree of Freedom)
- Place of Presentation
  宮崎市
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] オーダーN法DFT計算プログラムCONQUESTにおける局在軌道の最適化と応用計算
- Author(s)
  中田彩子, DavidBOWLER, 宮崎剛
- Organizer
  第8回分子科学討論会
- Place of Presentation
  広島大学（東広島、広島）
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ atoms
- Author(s)
  M. Arita, D. Bowler, T. Miyazaki
- Organizer
  International Symposium on Extended Molecular Dynamics (NOSE30)
- Place of Presentation
  慶応大学（港区、東京）
- Year and Date
  2014-11-10 – 2014-11-11
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] 白金dmit錯体系分子性導体における二量化ギャップおよび三角格子構造の制御
- Author(s)
  野村光城、圓谷貴夫、Abdel Jawad Majed、崔亨波、宮崎剛、加藤礼三
- Organizer
  第6回分子科学討論会2012東京
- Place of Presentation
  文京区
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Large-scale DFT simulations on nano structured materials using a linear-scaling technique
- Author(s)
  T. Miyazaki
- Organizer
  CC3DMR 2014
- Place of Presentation
  Songdo Convensia (Incheon, Korea)
- Year and Date
  2014-06-23 – 2014-06-27
- Invited
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] 分子性導体 β'-X[Pd(dmit)2]2及びκ-H3(Cat-EDT-TTF)2に対する理論的研究
- Author(s)
  圓谷貴夫、妹尾仁嗣、土射津昌久、加藤礼三、宮崎剛
- Organizer
  第8回物性科学領域横断研究会 (領域合同研究会)
- Place of Presentation
  大阪府豊中市、大阪大学
- Year and Date
  2014-11-21 – 2014-11-22
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Large-scale DFT simulations on nano structured materials using a linear-scaling technique
- Author(s)
  Tsuyoshi Miyazaki
- Organizer
  Collaborative Conference on 3D Research (CC3DMR) 2014
- Place of Presentation
  Songdo Convensia (Incheon, South Korea)
- Year and Date
  2014-06-23 – 2014-06-27
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] 超高圧下印加による単一成分分子性結晶[Ni(ddt)2]の金属化
- Author(s)
  崔亨波、圓谷貴夫、宮崎剛、加藤礼三
- Organizer
  日本化学会第93春季年会
- Place of Presentation
  草津市
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Development and applications of a linear-scaling DFT code CONQUEST
- Author(s)
  T. Miyazaki
- Organizer
  4th Int. WS on Massively Parallel Programming Now in Quantum Chemistry
- Place of Presentation
  東京大学（文京区、東京）
- Year and Date
  2014-11-23 – 2014-11-24
- Invited
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] First-Principles Study of Hydrogen-Bonded Molecular Conductor, κ-H3(Cat-EDT-TTF/ST)2
- Author(s)
  圓谷貴夫、妹尾仁嗣、加藤礼三、宮崎剛
- Organizer
  The 2nd International Symposium on Computics: Quantum Simulation and Design (ISC-QSD2014)
- Place of Presentation
  東京都文京区、東京大学
- Year and Date
  2014-12-01 – 2014-12-03
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ atoms
- Author(s)
  T. Miyazaki, M. Arita, D. Bowler
- Organizer
  Int. Workshop on Comp. Phys. and Materials Science: Total Energy and Force Methods
- Place of Presentation
  ICTP (Trieste, Italy)
- Year and Date
  2015-01-15 – 2015-01-17
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ atoms
- Author(s)
  T. Miyazaki, M. Arita, D. Bowler
- Organizer
  Int. Sympo. on Computics: Quantum Simulation and Design (ISC-QSD2014)
- Place of Presentation
  東京大学（文京区、東京）
- Year and Date
  2014-12-01 – 2014-12-03
- Data Source
  KAKENHI-PROJECT-26610120
[Presentation] 第一原理計算による単一成分分子性結晶の圧力下における金属化の解明II
- Author(s)
  圓谷貴夫、崔亨波、宮崎剛、加藤礼三
- Organizer
  日本物理学会第68回年次大会
- Place of Presentation
  東広島市
- Data Source
  KAKENHI-PROJECT-22224006
[Presentation] O(N)-DFT計算プログラムCONQUESTと櫻井杉浦法による大規模系の一電子波動関数解析
- Author(s)
  中田彩子, 二村保徳, 櫻井鉄也, DavidBOWLER, 宮崎剛
- Organizer
  日本物理学会第70回年次大会
- Place of Presentation
  早稲田大学（新宿区、東京）
- Year and Date
  2015-03-21 – 2015-03-24
- Data Source
  KAKENHI-PROJECT-26610120

1. KINO Hiori (70282605)

# of Collaborated Projects: 3 results

# of Collaborated Products: 6 results
2. OHNO Takahisa (30344435)

# of Collaborated Projects: 2 results

# of Collaborated Products: 16 results
3. OZAKI Taisuke (70356723)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
4. OTSUKA Takao (30465968)

# of Collaborated Projects: 2 results

# of Collaborated Products: 20 results
5. IWARA Junichi (70400695)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
6. Fukata Naoki (90302207)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
7. NISHINO Masamichi (80391217)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. NARA Jun (30354145)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. TATEYAMA Yoshitaka (70354149)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. IITAKA Toshiaki (60212700)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. IKEDA Takashi (60370350)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. TSUCHIYA Jun (00527608)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. HOSHI Takeo (80272384)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. OSHIYAMA Atsushi (80143361)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. TSUCHIDA Eiji (50357521)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
16. UCHIDA Kazuyuki (10393810)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
17. SHIGETA Yasuteru (80376483)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
18. KATO Reizo (80169531)

# of Collaborated Projects: 1 results

# of Collaborated Products: 23 results
19. TAJIMA Naoya (40316930)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
20. YAMAMOTO Hiroshi (30306534)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
21. OSHIMA Yugo (10375107)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
22. TAKUBO Naoko (60447315)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
23. CUI Hengbo (10425415)

# of Collaborated Projects: 1 results

# of Collaborated Products: 12 results
24. SHIN Shik (00162785)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
25. SHINODA Wataru (70357193)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
26. 中田彩子 (20595152)

# of Collaborated Projects: 1 results

# of Collaborated Products: 10 results
27. J. Wipakorn (40748216)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
28. 本久順一 (60212263)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
29. 冨岡克広 (60519411)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
30. 松村亮 (90806358)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
31. 田村亮 (20636998)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
32. 二村保徳 (30736210)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
33. 櫻井鉄也 (60187086)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
34. 三石和貴 (40354328)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
35. 小田将人 (70452539)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
36. 中村浩章

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
37. 齋藤誠紀

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
38. 石坂香子

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

MIYAZAKI Tsuyoshi 宮崎 剛

Research Projects

Research Products

Co-Researchers

Structure modeling of defects and impurities in GaN using large-scale DFT calcualtionssPrincipal Investigator

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Development of vertical HEMT-type devices using Si-Ge core-shell heterojunction nanowires

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機械学習・次元削減手法による不規則構造のミクロスコピック解析

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Development of large-scale first-principles MD and its applications of nano-structured materialsPrincipal Investigator

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Control of site selective doping and carrier transport in core-shell heterojunction nanowires

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Environment-dependent force fields for complex biological systems based on very large-scale first-principles calculationsPrincipal Investigator

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Density-Functional Approach to Atomic and Electronic Structures and their Dynamics in Nano-Structures

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Molecular Conductors as Ultimate pi-electron System

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Quantum simulation of hydrous minerals, magma and water under high pressure

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O (N) DFT study on the structural stability of hydrated DNA systemsPrincipal Investigator

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様々な環境下における分子性導体の構造変形と電子状態に対する第一原理計算Principal Investigator

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Development of order-N DFT methods and the application on nano materials

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高圧下等環境下の分子性導体の第一原理計算、及びそれに基づく諸物性の理論的予測Principal Investigator

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MIYAZAKI Tsuyoshi 宮崎剛