- Address
- 305-0044 茨城県つくば市並木1-1 [アクセス]
研究内容
- Keywords
第一原理計算、オーダーN法、プログラム開発
出版物2004年以降のNIMS所属における研究成果や出版物を表示しています。
論文
- Chen-Hao Yeh, Abdul Hannan Khan, Tsuyoshi Miyazaki, Jyh-Chiang Jiang. The investigation of methane storage at the Ni-MOF-74 material: a periodic DFT calculation. Physical Chemistry Chemical Physics. (2021) 10.1039/d1cp01276b
- MIYAZAKI, Tsuyoshi, OHNO, Takahisa. Ab initio study of pressure effects on molecular solids (CH3)4N[M(dmit)2]2 (M = Ni, Pd). Molecular Crystals and Liquid Crystals. ()
- Ayako Nakata, David R. Bowler, Tsuyoshi Miyazaki. Large-Scale DFT Methods for Calculations of Materials with Complex Structures. Journal of the Physical Society of Japan. 91 [9] (2022) 10.7566/jpsj.91.091011
書籍
- MIYAZAKI, Tsuyoshi, NAKATA, Ayako, ボウラー デービット. Large-Scale First-Principles Calculation Technique for Nanoarchitectonics: Local orbital and linear-scaling DFT methods with the CONQUEST code. System-Materials Nanoarchitectonics （Springer Nature). Springer, 2022, 15.
- MIYAZAKI, Tsuyoshi. II.2.2 オーダーNを目指して. 「密度汎関数法の発展 ーマテリアルデザインへの応用ー」（赤井久純・白井光雲編著 シュプリンガー）. , 2011, 141-162.
- MIYAZAKI, Tsuyoshi. III.1.3 電子論に基づく構造予測と設計技術. 環境・エネルギー材料ハンドブック. , 2011, 644-654.
会議録
- T Otsuka, N Okimoto, M Taiji, D R Bowler, T Miyazaki. Structure relaxation and binding energy calculations of FK506 binding protein complexes using order-N DFT code CONQUEST. JOURNAL OF PHYSICS:CONFERENCE SERIES. (2013) 012057-1-012057-5 10.1088/1742-6596/454/1/012057
- MIYAZAKI, Tsuyoshi, D. R. Bowler, M. J. Gillan, OOTSUKA, Takao, OHNO, Takahisa. Large-scale DFT calculations with the CONQUEST code. Proceedings of ICCMSE 2008, AIP Conference Proceedings. (2009) 685-688
- Michael J. Gillan, David R. Bowler, Antonio S. Torralba, MIYAZAKI, Tsuyoshi. Order-N first-principles calculations with the CONQUEST code . COMPUTER PHYSICS COMMUNICATIONS. (2007) 14-18
口頭発表
- TAMURA, Ryo, LIN, Jianbo, Yasunori Futamura, Tetsuya Sakurai, MIYAZAKI, Tsuyoshi. Search for a characteristic low-dimensional space by local structures and dimensionality reduction. WPI-MANA INTERNATIONAL SYMPOSIUM 2022. 2022
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Phase differentiation in silica using two-step locality preserving projections (TS-LPP). 第４回報告会（物質・材料研究機構）学術変革領域研究(A) 超秩序構造が創造する物性科学. 2022
- MIYAZAKI, Tsuyoshi. Theoretical Study of Complex Nanostructures and Disordered Systems using a Large-Scale DFT code CONQUEST. International Workshop on Exploration of Atomistic Disorder in Long-Range Ordered Systems and of Order in Disordered Materials. 2022
その他の文献
- Ayako Nakata, Jack S. Baker, Shereif Y. Mujahed, Jack T. L. Poulton, Sergiu Arapan, Jianbo Lin, Zamaan Raza, Sushma Yadav, Lionel Truflandier, Tsuyoshi Miyazaki, David R. Bowler. Large scale and linear scaling DFT with the CONQUEST code. The Journal of Chemical Physics. (2020) 164112 10.1063/5.0005074
- Teruo Hirakawa, Teppei Suzuki, David R Bowler, Tsuyoshi Miyazaki. Canonical-ensemble extended Lagrangian Born–Oppenheimer molecular dynamics for the linear scaling density functional theory. Journal of Physics: Condensed Matter. 29 [40] (2017) 405901 10.1088/1361-648x/aa810d
- 宮崎 剛. 地球深部物質の構造と物性の解明に向けた超大規模第一原理分子動力学法の開発. 高圧力の科学と技術. 27 [3] (2017) 189-197 10.4131/jshpreview.27.189