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

• Project Area: Earth Science Based on the High Pressure and Temperature Neutron Experiments
• Project/Area Number: 20103005
• Research Category: Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: The Institute of Physical and Chemical Research
• Principal Investigator: IITAKA Toshiaki 独立行政法人理化学研究所, 戎崎計算宇宙物理研究室, 専任研究員 (60212700)
• Co-Investigator(Kenkyū-buntansha): IKEDA Takashi 独立行政法人日本原子力研究開発機構, 量子ビーム物性制御・解析技術研究ユニット, 研究主幹 (60370350) ; TSUCHIYA Jun 愛媛大学, 上級研究員センター, 講師 (00527608) ; HOSHI Takeo 鳥取大学, 大学院・工学研究科, 准教授 (80272384)
• Co-Investigator(Renkei-kenkyūsha): MIYAZAKI Tsuyoshi 独立行政法人物質・材料研究機構, 主幹研究員 (50354147)
• Project Period (FY): 2008 – 2012
• Project Status: Completed (Fiscal Year 2012)
• Budget Amount: ¥49,400,000 (Direct Cost: ¥38,000,000、Indirect Cost: ¥11,400,000); Fiscal Year 2012: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000); Fiscal Year 2011: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000); Fiscal Year 2010: ¥13,000,000 (Direct Cost: ¥10,000,000、Indirect Cost: ¥3,000,000); Fiscal Year 2009: ¥14,300,000 (Direct Cost: ¥11,000,000、Indirect Cost: ¥3,300,000); Fiscal Year 2008: ¥14,300,000 (Direct Cost: ¥11,000,000、Indirect Cost: ¥3,300,000)
• Keywords: 高圧力 / 中性子散乱 / 量子シミュレーション / 地球惑星科学 / 水 / 氷 / 含水鉱物 / ナノ構造物質 / 液体 / マグマ / ナノダイアモンド / 第一原理分子動力学 / 水素結合 / ナノダイヤモンド / Order-N / 強結合分子動力学 / 弾性定数 / 水素結合対称化 / sp2結合 / 密度汎関数線形応答理論

Research Abstract

By means of atomistic simulations, we have revealed some unknown behaviors of water (hydrogen) under high pressure such as new high-pressure phase of hydrous minerals, hydrogen-bonding of water molecules under high pressure and high temperature, proton conduction in high-pressure phase of ice, pressure-induced phase transition of hydrogen hydrate, high temperature superconductivity of hydrides under high pressure, failure simulation of nanopolycrystalline diamond.

Research Products

• [Journal Article] 氷高圧相におけるプロトンダイナミクス (2013)
  • Author(s): 飯高敏晃
  • Journal Title: 低温科学 Volume: 71 Pages: 121-124
  • Peer Reviewed
• [Journal Article] 氷高圧相におけるプロトンダイナミクス・シミュレーション (2013)
  • Author(s): 飯高敏晃
  • Journal Title: 高圧力の科学と技術 Volume: 23
  • NAID: 10031183851
  • Peer Reviewed
• [Journal Article] 高温高圧水の構造と動的性質 (2013)
  • Author(s): 池田 隆司
  • Journal Title: 低温科学 Volume: 71 Pages: 125-129
  • Peer Reviewed
• [Journal Article] 氷高圧相におけるプロトンダイナミクス・シミュレーション (2013)
  • Author(s): 飯高 敏晃
  • Journal Title: 高圧力の科学と技術 Volume: 23
  • NAID: 10031183851
  • Peer Reviewed
• [Journal Article] Ten-million-atom electronic structure calculations on the K computer with a massively parallel order-N theory (2013)
  • Author(s): Takeo Hoshi, Yohei Akiyama, Tatsunori Tanaka and Takahisa Ohno
  • Journal Title: J. Phys. Soc. Jpn. Volume: 82 Issue: 2 Pages: 023710-023710
  • DOI: 10.7566/jpsj.82.023710
  • NAID: 40019576006
  • Peer Reviewed
• [Journal Article] Superconductive "sodalite"-like clathrate calcium hydride at high pressures (2012)
  • Author(s): Hui Wang, John S Tse, Kaori Tanaka, Toshiaki Iitaka, Yanming Ma
  • Journal Title: Proceedings of the National Academy of Sciences (PNAS) Volume: 109 Pages: 6463-6366
  • Peer Reviewed
• [Journal Article] First principles molecular dynamics study of filled ice hydrogen hydrate (2012)
  • Author(s): Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka
  • Journal Title: J. Chem. Phys. Volume: 137 Pages: 84505-84505
  • Peer Reviewed
• [Journal Article] 高温高圧水の構造と動的性質 (2012)
  • Author(s): 池田隆司
  • Journal Title: 低温科学 Volume: 71 Pages: 125-129
  • Peer Reviewed
• [Journal Article] An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system (2012)
  • Author(s): Takeo Hoshi, Susumu Yamamoto, Takeo Fujiwara, Tomohiro Sogabe, Shao-Liang Zhang
  • Journal Title: J. Phys.: Condens. Matter Volume: 24 Pages: 165502-165502
  • Peer Reviewed
• [Journal Article] Superconductive "sodalite"-like clathrate calcium hydride at high pressures (2012)
  • Author(s): H. Wang
  • Journal Title: Proceedings of the National Academy of Sciences (PNAS) Volume: 109 Issue: 17 Pages: 6463-6466
  • DOI: 10.1073/pnas.1118168109
  • Peer Reviewed
• [Journal Article] First principles molecular dynamics study of filled ice hydrogen hydrate (2012)
  • Author(s): J. Zhang
  • Journal Title: J. Chem. Phys. Volume: 137 Issue: 8 Pages: 084505-084505
  • DOI: 10.1063/1.4746776
  • Peer Reviewed
• [Journal Article] First-principles calculation of helical spin order in iron perovskite SrFeO3 and BaFeO3 (2012)
  • Author(s): Z. Li, R. Laskowski, T. Iitaka and T. Tohyama
  • Journal Title: Phys. Rev. B Volume: 85 Issue: 13 Pages: 134419-134419
  • DOI: 10.1103/physrevb.85.134419
  • Peer Reviewed
• [Journal Article] Pressure-induced ferromagnetism in cubic perovskite SrFeO3 and BaFeO3 (2012)
  • Author(s): Z. Li, T. Iitaka and T. Tohyama
  • Journal Title: Phys. Rev. B Volume: 86 Issue: 9 Pages: 094422-094422
  • DOI: 10.1103/physrevb.86.094422
  • Peer Reviewed
• [Journal Article] The ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale molecular magnet V15 (2012)
  • Author(s): M. Machida
  • Journal Title: Phys. Rev. B Volume: 86 Issue: 22 Pages: 224412-224412
  • DOI: 10.1103/physrevb.86.224412
  • Peer Reviewed
• [Journal Article] Electronic structure calculations and quantum molecular dynamics simulations of the ionic liquid PP13-TFSI (2012)
  • Author(s): S. Nishino
  • Journal Title: Solid State Ionics Volume: 225 Pages: 22-25
  • DOI: 10.1016/j.ssi.2012.01.045
  • Peer Reviewed
• [Journal Article] Solution of generalized shifted linear systems with complex symmetric matrices (2012)
  • Author(s): T. Sogabe, T. Hoshi, S.-L. Zhang, and T. Fujiwara
  • Journal Title: J. Comput. Phys. Volume: 231 Issue: 17 Pages: 5669-5684
  • DOI: 10.1016/j.jcp.2012.04.046
  • Peer Reviewed
• [Journal Article] An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system (2012)
  • Author(s): Takeo Hoshi, Susumu Yamamoto, Takeo Fujiwara, Tomohiro Sogabe, Shao-Liang Zhang
  • Journal Title: J. Phys.: Condens. Matter Volume: 24 Issue: 16 Pages: 165502-165502
  • DOI: 10.1088/0953-8984/24/16/165502
  • Peer Reviewed
• [Journal Article] First-principles study of liquid gallium at ambient and high pressure (2011)
  • Author(s): J.Yang, J.S. Tse, T. Iitaka
  • Journal Title: J. Chem. Phys. Volume: 135 Pages: 44507-44507
  • Peer Reviewed
• [Journal Article] First-principles study of liquid gallium at ambient and high pressure (2011)
  • Author(s): J.Yang, J.S.Tse, T.Iitaka
  • Journal Title: J.Chem.Phys. Volume: 135 Issue: 4 Pages: 44507-44507
  • DOI: 10.1063/1.3615936
  • Peer Reviewed
• [Journal Article] Implementation of GPU-FFT into Planewave Based First Principles Calculation Method (2011)
  • Author(s): Hidekazu Tomono, Masaru Aoki, Toshiaki Iitaka, Kazuo Tsumuraya
  • Journal Title: Journal of Computational Science and Technology Volume: 5 Issue: 3 Pages: 89-105
  • DOI: 10.1299/jcst.5.89
  • NAID: 130001091548
  • ISSN: 1881-6894
  • Peer Reviewed
• [Journal Article] Electronic and magnetic structure of the high pressure phase of Li2CuO2 (2011)
  • Author(s): Z.Li, J.S.Tse, S.You, C.Q.Jin, T.Iitaka
  • Journal Title: International Journal of Modern Physics B Volume: 25 Issue: 26 Pages: 3409-3414
  • DOI: 10.1142/s0217979211101909
  • Peer Reviewed
• [Journal Article] First-principles prediction of post-pyrite phase transitions in germanium dioxide (2011)
  • Author(s): H.Dekura, T.Tsuchiya, J.Tsuchiya
  • Journal Title: Physical Review B Volume: 83 Issue: 13 Pages: 134114-134114
  • DOI: 10.1103/physrevb.83.134114
  • Peer Reviewed
• [Journal Article] Stacking-disordered phase of iron in the Earth's inner core from first principles (2011)
  • Author(s): T.Ishikawa, J.Tsuchiya, T.Tsuchiya
  • Journal Title: Physical Review B Volume: 83 Issue: 21 Pages: 54115-54115
  • DOI: 10.1103/physrevb.83.212101
  • Peer Reviewed
• [Journal Article] Theoretical and experimental evidence for a new post-cotunnite phase of titanium dioxide with significant optical absorption (2011)
  • Author(s): H.Dekura, T.Tsuchiya, Y.Kuwayama, J.Tsuchiya
  • Journal Title: Physical Review Letters Volume: 107 Issue: 4 Pages: 45701-45701
  • DOI: 10.1103/physrevlett.107.045701
  • Peer Reviewed
• [Journal Article] Efficient and accurate linear algebraic methods for large-scale electronic structure calculations with nonorthogonal atomic orbitals (2011)
  • Author(s): H.Teng, T.Fujiwara, T.Hoshi, T.Sogabe, S.-L.Zhang, S.Yamamoto
  • Journal Title: Phys.Rev.B Volume: 83 Issue: 16
  • DOI: 10.1103/physrevb.83.165103
  • Peer Reviewed
• [Journal Article] 一般化固有値問題に対するArnoldi(M;W;G)法 (2011)
  • Author(s): 山下達也, 宮田考史, 曽我部知広, 星健夫, 藤原毅夫, 張紹良
  • Journal Title: 日本応用数理学会論文誌 Volume: 21 Pages: 241-254
  • NAID: 110008750588
  • Peer Reviewed
• [Journal Article] First-principles prediction of ahigh-pressure hydrous phase of AlOOH (2011)
  • Author(s): Jun Tsuchiya, Taku Tsuchiya
  • Journal Title: Phys.Rev.B 83 Pages: 54115-54115
• [Journal Article] First-principles prediction of a high-pressure hydrous phase of AlOOH (2010)
  • Author(s): Jun Tsuchiya, Taku Tsuchiya
  • Journal Title: Phys. Rev. B Volume: 83
  • Peer Reviewed
• [Journal Article] Pressure-Induced Intermolecular Interactions in Crystalline Silane-Hydrogen (2010)
  • Author(s): Wai-Leung Yim, John S.Tse, Toshiaki Iitaka
  • Journal Title: Phys.Rev.Lett. Volume: 105
  • Peer Reviewed
• [Journal Article] Dissociation of methane under high pressure (2010)
  • Author(s): Guoying Gao, Artem R.Oganov, Yanming Ma, Hui Wang, Peifang Li, Yinwei Li, Toshiaki Iitaka, Guangtian Zou
  • Journal Title: J.Chem.Phys. Volume: 133
  • Peer Reviewed
• [Journal Article] High-pressure crystal structures and superconductivity of Stannane (SnH4) (2010)
  • Author(s): G. Gao, A.R. Oganov, P. Li, Z. Li, H. Wang, T. Cui, Y. Ma, A. Bergara, A.O. Lyakhov, T. Iitaka, and G. Zou
  • Journal Title: Proceedings of the National Academy of Sciences Volume: 107 Pages: 1317-1317
• [Journal Article] First-principles studies of liquid lithium under pressure (2010)
  • Author(s): J. Yang, J.S. Tse and T. Iitaka
  • Journal Title: J. Phys.: Condens. Matter Volume: 22 Pages: 95503-95503
• [Journal Article] GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers (2010)
  • Author(s): T.Iitaka
  • Journal Title: J. Phys.: Conf. Ser. Volume: 215 Pages: 12119-12119
• [Journal Article] Structure of liquid water under high pressure up to 17 Gpa (2010)
  • Author(s): Y. Katayama, T. Hattori, H. Saitoh, T. Ikeda, K. Aoki, H. Fukui, and K. Funakoshi
  • Journal Title: Phys. Rev. Volume: B, 81
• [Journal Article] High-temperature water under pressure (2010)
  • Author(s): T. Ikeda, Y. Katayama, H. Saitoh, and K. Aoki
  • Journal Title: J. Chem. Phys. Volume: 132
• [Journal Article] Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond (2010)
  • Author(s): T. Hoshi, T. Iitaka, M. Fyta
  • Journal Title: J. Phys.: Conf. Ser. Volume: 215 Pages: 12118-12118
• [Journal Article] Pressure-Induced Intermolecular Interactions in Crystalline Silane-Hydrogen (2010)
  • Author(s): Wai-Leung Yim, John S.Tse, Toshiaki Iitaka
  • Journal Title: Phys.Rev.Lett. 105 Pages: 215501-215501
• [Journal Article] High-temperature water under pressure (2010)
  • Author(s): Ikeda, T., Katayama, Y., Saitoh, H., Aoki, K.
  • Journal Title: J.Chem.Phys. 1323 Pages: 121102-121102
• [Journal Article] Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond (2010)
  • Author(s): Takeo Hoshi, Toshiaki Iitaka, Maria Fyta
  • Journal Title: J.Phys. : Conf.Ser. 215 Pages: 12118-12118
• [Journal Article] Dissociation of methane under high pressure (2010)
  • Author(s): Guoying Gao, Artem R.Oganov, Yanming Ma, Hui Wang, Peifang Li, Yinwei Li, Toshiaki Iitaka, Guangtian Zou
  • Journal Title: J.Chem.Phys. 133 Pages: 144508-144508
• [Journal Article] Structure of liquid water under high pressure up to 17 GPa (2010)
  • Author(s): Takashi Ikeda, Yoshinori Katayama, Hiroyuki Saitoh, Katsutoshi Aoki
  • Journal Title: J.Chem.Phys. Volume: 132
  • Peer Reviewed
• [Journal Article] First-principles prediction of a high-pressure hydrous phase of AlOOH (2010)
  • Author(s): Jun Tsuchiya, Taku Tsuchiya
  • Journal Title: Phys.Rev.B Volume: 83
  • Peer Reviewed
• [Journal Article] First-Principles Prediction on the High-Pressure Structures of Transition Metal Diborides (TMB2, TM=Sc, Ti, Y, Zr) (2010)
  • Author(s): Meiguang Zhang, Hui Wang, Hongbo Wang, Xinxin Zhang, Toshiaki Iitaka, Yanming Ma
  • Journal Title: Inorg.Chem. Volume: 49 Pages: 6859-6864
  • Peer Reviewed
• [Journal Article] Failure of Conventional Density Functionals for the Prediction of Molecular Crystal Polymorphism : A Quantum Monte Carlo Study (2010)
  • Author(s): Kenta Hongo, Mark A.Watson, Roel S.Sanchez-Carrera, Toshiaki Iitaka, Alan Aspuru-Guzik
  • Journal Title: J.Phys.Chem.Lett. Volume: 1 Pages: 1789-1794
  • Peer Reviewed
• [Journal Article] GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers (2010)
  • Author(s): Toshiaki Iitaka
  • Journal Title: J.Phys.: Conf.Ser. Volume: 215 Pages: 12119-12119
  • Peer Reviewed
• [Journal Article] Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond (2010)
  • Author(s): Takeo Hoshi, Toshiaki Iitaka, Maria Fyta
  • Journal Title: J.Phys.: Conf.Ser. Volume: 215 Pages: 12118-12118
  • Peer Reviewed
• [Journal Article] Acceleration of orbital-free first principles calculation with graphics processing unit GPU (2010)
  • Author(s): M Aoki, H Tomono, T Iitaka, K Tsumuraya
  • Journal Title: J.Phys.: Conf.Ser. Volume: 215 Pages: 12120-12120
  • Peer Reviewed
• [Journal Article] GPU based acceleration of first principles calculation (2010)
  • Author(s): H Tomono, M Aoki, T Iitaka, K Tsumuraya
  • Journal Title: J.Phys.: Conf.Ser. Volume: 215 Pages: 12121-12121
  • Peer Reviewed
• [Journal Article] Structure of liquid water under pressure up to 17 GPa (2010)
  • Author(s): Y.Katayama, T.Hattori, H.Saitoh, T.Ikeda, K.Aoki, H.Fukui, K.Funakoshi
  • Journal Title: Phys.Rev.B 81
  • Peer Reviewed
• [Journal Article] First-principles studies of liquid lithium under pressure (2010)
  • Author(s): Jianjun Yang, John S Tse, Toshiaki Iitaka
  • Journal Title: J.Phys.: Condens.Matter 22 Pages: 95503-95503
  • Peer Reviewed
• [Journal Article] Novel algorithm of large-scale simultaneous linear equations (2010)
  • Author(s): T.Fujiwara, T.Hoshi, S.Yamamoto, T.Sogabe, S-L.Zhang
  • Journal Title: J.Phys.: Condens. Matter 22
  • Peer Reviewed
• [Journal Article] High-pressure crystal structures and superconductivity of Stannane(SnH4) (2010)
  • Author(s): Guoying Gao, Artem R.Oganov, Peifang Li, Zhenwei Li, Hui Wang, Tian Cui, Yanming Ma, Aitor Bergara, Andriy O.Lyakhov, Toshiaki Iitaka, Guangtian Zou
  • Journal Title: Proceedings of the National Academy of Sciences 107 Pages: 1317-1317
  • Peer Reviewed
• [Journal Article] New Metallic Carbon Crystal (2009)
  • Author(s): Y. Yao J. S. Tse J. Sun, D. D. Klug . R. Martonak, and T. Iitaka
  • Journal Title: Phys. Rev. Lett. Volume: 102 Pages: 229601-229601
• [Journal Article] Elastic properties of δ-AlOOH under pressure: first principles investigation (2009)
  • Author(s): J. Tsuchiya, and T. Tsuchiya
  • Journal Title: Physics of the Earth and Planetary Interiors Volume: 174 Pages: 122-127
• [Journal Article] First-principles investigation of the structuraland elastic properties of hydrous wadsleyite under pressure (2009)
  • Author(s): J. Tsuchiya, and T. Tsuchiya
  • Journal Title: J. Geophys. Res. Volume: 114
• [Journal Article] Development of simulation package 'ELSES' for extra-large-scale electronic-structure calculation (2009)
  • Author(s): T. Hoshi, and T. Fujiwara
  • Journal Title: J. Phys.: Condens. Matter Volume: 21
• [Journal Article] Domain boundary formation in helical multishell gold nanowire (2009)
  • Author(s): T. Hoshi, and T. Fujiwara
  • Journal Title: J. Phys.: Condens. Matter Volume: 21
• [Journal Article] Elastic properties of □-AlOOH under pressure : First principles investigation (2009)
  • Author(s): Jun Tsuchiya, Taku Tsuchiya
  • Journal Title: Physics of the Earth and Planetary Interiors 174 Pages: 122-127
  • Peer Reviewed
• [Journal Article] Lost primordial continents (2009)
  • Author(s): Kenji Kawai, Taku Tsuchiya, Jun Tsuchiya, Shigenori Maruyama
  • Journal Title: Gondwana Research 16 Pages: 581-586
  • Peer Reviewed
• [Journal Article] On an application of the QMR_SYM method to complex symmetric shifted linear systems (2009)
  • Author(s): T.Sogabe, T.Hoshi, S.-L.Zhang, T.Fujiwara
  • Journal Title: Proc.Appl.Math.Mech. 7 Pages: 2020081-2020082
• [Journal Article] Development of simulation package 'ELSES' for extra-large-scale electronic-structure calculation (2009)
  • Author(s): T.Hoshi, T.Fujiwara
  • Journal Title: J.Phys.: Condens.Matter 21
  • Peer Reviewed
• [Journal Article] Comment on "New Metallic Carbon Crystal" (2009)
  • Author(s): Y.Yao, J.S.Tse, J.Sun, D.D.Klug, R.Martonak, T.Iitaka
  • Journal Title: Phys.Rev.Lett.102 102 Pages: 229601-229601
  • Peer Reviewed
• [Journal Article] First-principles investigation of the structural and elastic properties of hydrous wadsleyite under pressure (2009)
  • Author(s): J.Tsuchiya,
  • Journal Title: J.Geophys.Res. 114
  • Peer Reviewed
• [Journal Article] An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system
  • Author(s): T. Hoshi, S. Yamamoto, T. Fujiwara, T. Sogabe, S.-L. Zhang
  • Journal Title: J. Phys.; Condensed Matter
  • Peer Reviewed
• [Journal Article] An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system
  • Author(s): T.Hoshi, S.Yamamoto, T.Fujiwara, T.Sogabe, S.-L.Zhang
  • Journal Title: J.Phys. ; Condensed Matter Volume: (印刷中)
  • Peer Reviewed
• [Presentation] 数学・計算材料科学・HPC分野の融合としての大行列数理アルゴリズム (2013)
  • Author(s): 星 健夫
  • Organizer: 計算材料科学と数学の協働によるスマート材料デザイン手法の探索
  • Place of Presentation: 東北大学（宮城県仙台市）
  • Year and Date: 2013-03-13
  • Invited
• [Presentation] 超大規模超並列電子状態計算におけるApplication-Algorithm-Architecture Co-design (2013)
  • Author(s): 星 健夫
  • Organizer: 第3回大阪大学産業科学研究所共同研究研究会
  • Place of Presentation: メープル有馬(兵庫県神戸市）
  • Year and Date: 2013-02-10
  • Invited
• [Presentation] 高圧下における水、氷含鉱物ナノ質の量子シミュレーョンの報告 (2013)
  • Author(s): 飯高 敏晃
  • Organizer: 科研費「新学術領域研究」 高温高圧中性子実験で拓く地球の物質科学、科研費「学術創成研究」 強力パルス中性子源を活用した超高圧物質科学の開拓 共同研究会
  • Place of Presentation: いばらき量子ビーム研究センター（茨城県那珂郡）
• [Presentation] 氷VII相におけるプロトンダイナミクス（熱伝導） (2013)
  • Author(s): 飯高 敏晃
  • Organizer: 日本物理学会第68回年次大会
  • Place of Presentation: 広島大学（広島県東広島市）
• [Presentation] First principles investigations of hydrous phases under pressure: Implications for the transportation of water into the Earth's deep interior (2013)
  • Author(s): 土屋 旬
  • Organizer: The 3rd Grobal-COE international symposium on Deep Earth Mineralogy
  • Place of Presentation: 愛媛大学（愛媛県松山市）
• [Presentation] 第一原理分子動力学に基づいた水の振動分光解析 (2012)
  • Author(s): 池田隆司
  • Organizer: 共同研究集会「H2Oを科学する・2012」
  • Place of Presentation: 北海道大学低温科学研究所(北海道札幌市)
  • Year and Date: 2012-12-06
• [Presentation] Ten-million-atom electronic structure calculations with novel linear-algebraic algorithm and the K computer (2012)
  • Author(s): 星 健夫
  • Organizer: International Symposium on Computics: Quantum Simulation and Design
  • Place of Presentation: 大阪大学（大阪府豊中市）
  • Year and Date: 2012-10-11
  • Invited
• [Presentation] 並列化大規模電子状態計算によるナノ構造シミュレーション (2012)
  • Author(s): 星 健夫
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県横浜市）
  • Year and Date: 2012-09-18
• [Presentation] First-principles investigation on the structure and elasticity of serpentine (2012)
  • Author(s): 土屋旬,土屋卓久
  • Organizer: AOGS-WPGM 2012.
  • Place of Presentation: Resorts World Convention Centre(シンガポール)
  • Year and Date: 2012-08-16
• [Presentation] 一般化クリロフ部分空間法と大規模電子状態計算への応用 (2012)
  • Author(s): 星 健夫
  • Organizer: 並列/分散/協調処理に関するサマー・ワークショップ
  • Place of Presentation: 鳥取大学（鳥取県鳥取市）
  • Year and Date: 2012-08-01
• [Presentation] 氷高圧相におけるプロトン拡散 (2012)
  • Author(s): 飯高敏晃
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 西宮日本
  • Year and Date: 2012-03-27
• [Presentation] 高温高圧下の水の第一原理シミュレーション (2012)
  • Author(s): 池田隆司
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学(西宮)
  • Year and Date: 2012-03-25
• [Presentation] Novel linear-algebraic theories in large-scale electronic structure calculation and its application to nano-materials (2012)
  • Author(s): T.Hoshi, T.Sogabe, S.Yamamoto, S.Nishino, T.Fujiwara, S.-L.Zhang
  • Organizer: Dresden-Kobe Joint Workshop on Electronic Simulations for Nanosystems
  • Place of Presentation: 神戸大学、神戸(招待講演)
  • Year and Date: 2012-03-07
• [Presentation] BL11建設すご録 (2012)
  • Author(s): 服部高典, 佐野亜沙美, 有馬寛, 内海渉, 永井隆哉, 飯高敏晃, 鍵裕之, 片山芳則, 井上徹, 八木健彦
  • Organizer: 第3回MLFシンポジウム
  • Place of Presentation: 東海村日本
  • Year and Date: 2012-01-19
• [Presentation] 氷衛星の非平衡統計力学 (2012)
  • Author(s): 飯高敏晃
  • Organizer: 統計物理学コロキューム「ゆらぎ、不可逆性および秩序ダイナミクス」
  • Place of Presentation: 東京日本
  • Year and Date: 2012-01-18
• [Presentation] 水素ハイドレートFilled Ice相の第一原理分子動力学 (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 日本地球惑星科学連合 2012年度連合大会
  • Place of Presentation: 幕張メッセ（千葉県千葉市）
• [Presentation] 氷VII相におけるプロトンダイナミクス (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 日本地球惑星科学連合 2012年度連合大会
  • Place of Presentation: 幕張メッセ（千葉県千葉市）
• [Presentation] Proton dynamics of ice VII (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 2012 Workshop on Exploring the Structures and Dynamics of Water at Interfaces
  • Place of Presentation: 原子與分子科学研究所（台湾台北市）
  • Invited
• [Presentation] 氷高圧相におけるプロトンダイナミクス (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県横浜市）
• [Presentation] 第一原理分子動力学に基づいた水の振動分光解析 (2012)
  • Author(s): 池田 隆司
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県横浜市）
• [Presentation] Pressure Response of Proton Conductivity of H20 Ice VII (2012)
  • Author(s): 岡田 卓
  • Organizer: IUCr Commission on High Pressure 2012 Meeting "Advances in Crystallography at High Pressures"
  • Place of Presentation: ホテルレイクビュー水戸（茨城県水戸市）
• [Presentation] First principles molecular dynamics study of filled ice hydrogen hydrate (2012)
  • Author(s): 飯高 敏晃
  • Organizer: Physics and Control of Clustering Solids
  • Place of Presentation: ウェスティンホテル淡路（兵庫県淡路市）
• [Presentation] 氷VII相におけるプロトンダイナミクス (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 第53回高圧討論会
  • Place of Presentation: 大阪大学（大阪府豊中市）
  • Invited
• [Presentation] ガスハイドレート高圧低温相の第原理計算 (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 第53回高圧討論会
  • Place of Presentation: 大阪大学（大阪府豊中市）
• [Presentation] J-PARC超高圧中性子回折装置(PLANET)の性能 (2012)
  • Author(s): 服部 高典
  • Organizer: 第53回高圧討論会
  • Place of Presentation: 大阪大学（大阪府豊中市）
• [Presentation] Ice and gas hydrate under high pressure (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 2012 Workshop on Structure and Dynamics of Water in Gas, Liquid and Solid Phases
  • Place of Presentation: 原子與分子科学研究所（台湾台北市）
  • Invited
• [Presentation] 氷高圧相におけるプロトンダイナミクス (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 共同研究集会「H2Oを科学する・2012」
  • Place of Presentation: 北海道大学低温科学研究所（北海道札幌市）
• [Presentation] 第一原理分子動力学に基づいた水の振動分光解析 (2012)
  • Author(s): 池田 隆司
  • Organizer: 共同研究集会「H2Oを科学する・2012」
  • Place of Presentation: 北海道大学低温科学研究所（北海道札幌市）
• [Presentation] 氷の電気伝導率と熱伝導率 (2012)
  • Author(s): 飯高 敏晃
  • Organizer: 第15回物質科学研究会
  • Place of Presentation: 核融合科学研究所(岐阜県多治見市）
• [Presentation] 第一原理電子状態計算法によるリザーダイトの弾性異常 (2012)
  • Author(s): 土屋 旬
  • Organizer: 日本鉱物科学会
  • Place of Presentation: 京都大学（京都府京都市）
• [Presentation] 高圧下における蛇紋岩鉱物の偏向異方性 (2012)
  • Author(s): 土屋 旬
  • Organizer: 日本鉱物科学会
  • Place of Presentation: 京都大学（京都府京都市）
• [Presentation] First-principles investigation on the structure and elasticity of serpentine (2012)
  • Author(s): 土屋 旬
  • Organizer: AOGS-WPGM 2012
  • Place of Presentation: Resorts World Convention Centre（シンガポール）
• [Presentation] 超大規模電子状態計算におけるApplication-Algorithm-Architecture Co-design (2012)
  • Author(s): 星 健夫
  • Organizer: 日本応用数理学会「行列・固有値問題の解法とその応用」研究部会 第14回研究会
  • Place of Presentation: 筑波大学（茨城県つくば市）
  • Invited
• [Presentation] 超大規模電子状態計算コードELSESの紹介 -- NIMSソフトウェアとの連携研究可能性 -- (2012)
  • Author(s): 星 健夫
  • Organizer: NIMS ナノシミュレーション ワークショップ 2012
  • Place of Presentation: 学術総合センター（東京都千代田区）
• [Presentation] Theoretical and experimental evidence of the densest form in metal dioxide (2011)
  • Author(s): Jun Tsuchiya, Haruhiko Dekura, Yasuhiro Kuwayama, Taku Tsuchiya
  • Organizer: American Geophysics Union, Fall Meeting
  • Place of Presentation: San Francisco, USA
  • Year and Date: 2011-12-08
• [Presentation] Li4GeS4、Li3PS4中Liイオンのダイナミックス:第一原理電子構造計算および長時間(ns)タイトバインディング分子動力学計算を用いた解析 (2011)
  • Author(s): 西野信也, 藤原毅夫, 山元進, 山崎久嗣, 山本智, 星健夫
  • Organizer: 第37回固体イオニクス討論会
  • Place of Presentation: 鳥取
  • Year and Date: 2011-12-08
• [Presentation] Lattice thermal conductivity of minerals in the deep mantle condition (2011)
  • Author(s): Haruhiko Dekura, Taku Tsuchiya, Jun Tsuchiya
  • Organizer: American Geophysics Union, Fall Meeting
  • Place of Presentation: San Francisco, USA
  • Year and Date: 2011-12-05
• [Presentation] The overview and the current construction state of the high-pressure neutron diffractometer PLANET at J-PARC (2011)
  • Author(s): Takanori Hattori, Hiroshi Arima, Asami Sano, Wataru Utsumi, Takaya Nagai, Toshiaki Iitaka, Hiroyuki Kagi, Yoshinori Katayama, Toru Inoue, Takehiko Yagi
  • Organizer: 1st Asia-Oceania Conference on Neutron Scattering (1st AOCNS)
  • Place of Presentation: Tsukuba Japan
  • Year and Date: 2011-11-20
• [Presentation] J-PARC超高圧中性子回折装置PLANETの概要と目指すところ (2011)
  • Author(s): 服部高典, 有馬寛, 佐野亜沙美, 内海渉, 永井隆哉, 飯高敏晃, 鍵裕之, 片山芳則, 井上徹, 八木健彦
  • Organizer: 2011年日本化学会西日本大会
  • Place of Presentation: 徳島日本
  • Year and Date: 2011-11-13
• [Presentation] メタンハイドレートの低温高圧物性 (2011)
  • Author(s): 田中岳彦, 平井寿子, 青木勝敏, 飯高敏晃, 松岡岳洋, 大石泰生, 山本佳孝, 八木健彦
  • Organizer: 第52回高圧討論会
  • Place of Presentation: 那覇日本
  • Year and Date: 2011-11-09
• [Presentation] 金属二酸化物における高圧下ポストコチュナイト構造探索 (2011)
  • Author(s): 出倉春彦, 土屋卓久, 桑山靖弘, 土屋旬
  • Organizer: 第52回高圧討論会
  • Place of Presentation: 沖縄
  • Year and Date: 2011-11-09
• [Presentation] 高温高圧下におけるMgOの第一原理格子熱伝導率計算 (2011)
  • Author(s): 出倉春彦, 土屋卓久, 土屋旬
  • Organizer: 第52回高圧討論会
  • Place of Presentation: 沖縄
  • Year and Date: 2011-11-09
• [Presentation] Li ion dynamics in Li4GeS4 and Li4GeP4 : First Principle Electronic Structure Calculation and Long Time Tight Binding Molecular Dynamics Simulation (2011)
  • Author(s): S.Nishino, T.Fujiwara, H.Yamasaki, S.Yamamoto, S.Yamamoto, T.Hoshi
  • Organizer: The 14th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 東京大学、東京
  • Year and Date: 2011-10-31
• [Presentation] Low temperature structure of filled ice hydrogen hydrate : an ab initio molecular dynamics study (2011)
  • Author(s): Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka
  • Organizer: 14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN14)
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2011-10-30
• [Presentation] Li4GeS4の量子分子動力学シミュレーション (2011)
  • Author(s): 西野信也, 藤原毅夫, 山崎久嗣, 山本智, 山元進, 星健夫
  • Organizer: 第52回電池討論会
  • Place of Presentation: 東京
  • Year and Date: 2011-10-18
• [Presentation] Proton dynamics in ice phases under high pressure (2011)
  • Author(s): Toshiaki Iitaka
  • Organizer: Workshop on Dynamics and Structure of Water: From Gas Phase Clusters to Condensed Phase
  • Place of Presentation: Taipei Taiwan
  • Year and Date: 2011-10-16
• [Presentation] Proton dynamics in ice phases under high pressure (2011)
  • Author(s): Toshiaki Iitaka
  • Organizer: Workshop on Dynamics and Structure of Water : From Gas Phase Clusters to Condensed Phase
  • Place of Presentation: Taipei Taiwan(招待講演)
  • Year and Date: 2011-10-16
• [Presentation] 氷におけるプロトンダイナミクス (2011)
  • Author(s): 飯高敏晃
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山日本
  • Year and Date: 2011-09-24
• [Presentation] Pythonによる電子状態計算むけ原子構造可視化ツールの開発 (2011)
  • Author(s): 川居佳史, 田中辰典, 秋山洋平, 星健夫
  • Organizer: 日本物理学会
  • Place of Presentation: 富山大学、富山
  • Year and Date: 2011-09-22
• [Presentation] Quantum Molecular Dynamics Simulation of the Ionic Liquid PP13-TFSA Doped with LiTFSA (2011)
  • Author(s): S.Nishino, T.Fujiwara, H.Yamasaki, S.Yamamoto, S.Yamamoto, T.Hoshi
  • Organizer: 62nd Annual Meeting of the International Society of Electrochemistry-Electrochemical Frontiers in Global Environment and Energy
  • Place of Presentation: 新潟
  • Year and Date: 2011-09-15
• [Presentation] 電子状態計算から見た自動チューニングへの期待 (2011)
  • Author(s): 星健夫
  • Organizer: 日本応用数理学会
  • Place of Presentation: 同志社大学 京都
  • Year and Date: 2011-09-14
• [Presentation] 電子状態計算から見た自動チューニングへの期待 (2011)
  • Author(s): 星健夫
  • Organizer: 日本応用数理学会
  • Place of Presentation: 同志社大学,京都(招待講演)
  • Year and Date: 2011-09-14
• [Presentation] Large-scale electronic structure calculation with ELSES and its application to conjugated polymer (2011)
  • Author(s): T.Hoshi, S.Nishino, Y.Zempo, S.Yamamoto, T.Fujiwara, T.Sogabe, S.-L.Zhang, M.Ishida
  • Organizer: Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
  • Place of Presentation: 早稲田大学,東京
  • Year and Date: 2011-09-08
• [Presentation] Proton dynamics in ice phases under high pressure (2011)
  • Author(s): Toshiaki Iitaka
  • Organizer: 6th Conference of the Asian Consortium on Computational Materials Science (ACCMS-6)
  • Place of Presentation: Singapore
  • Year and Date: 2011-09-06
• [Presentation] 氷におけるプロトンダイナミクス (2011)
  • Author(s): 飯高敏晃
  • Organizer: 平成23年度低温科学研究所萌芽研究「氷の物理と化学研究の新展開2011」共同研究集会
  • Place of Presentation: 札幌日本
  • Year and Date: 2011-09-05
• [Presentation] Multimegabar phase relations of major Earth and planetary materials (2011)
  • Author(s): Taku Tsuchiya, Haruhiko Dekura, Yasuhiro Kuwayama, Jun Tsuchiya
  • Organizer: Goldschmidt conference
  • Place of Presentation: Prague Czech
  • Year and Date: 2011-08-19
• [Presentation] Ab initio study on lattice thermal conductivity of minerals (2011)
  • Author(s): Haruhiko Dekura, Taku Tsuchiya, Jun Tsuchiya
  • Organizer: Goldschmidt conference
  • Place of Presentation: Prague Czech
  • Year and Date: 2011-08-17
• [Presentation] Pythonを用いた電子状態計算むけ原子構造可視化ツールの開発 (2011)
  • Author(s): 川居佳史, 田中辰典, 秋山洋平, 星健夫
  • Organizer: 応用物理学会・日本物理学会・日本物理教育学会中国四国支部2011年度合同支部学術講演会
  • Place of Presentation: 鳥取
  • Year and Date: 2011-07-30
• [Presentation] Electronic structure calculations and quantum molecular dynamics simulations of the ionic liquid PP13-TFSA (2011)
  • Author(s): S.Nishino, T.Fujiwara, H.Yamasaki, S.Yamamoto, T.Hoshi
  • Organizer: the 18th International Conference on Solid State Ionics
  • Place of Presentation: ワルシャワ、ポーランド
  • Year and Date: 2011-07-04
• [Presentation] シラン・水素結晶における圧力誘起分子間相互作用 (2011)
  • Author(s): Yim Wai-Leung, Tse Jhon Sak, 飯高敏晃
  • Organizer: 日本地球惑星科学連合2011年度大会
  • Place of Presentation: 千葉日本
  • Year and Date: 2011-05-24
• [Presentation] 超高圧中性子回折装置PLANET first beam受け入れました! (2011)
  • Author(s): 服部高典, 有馬寛, 佐野亜沙美, 阿部淳, 内海渉, 永井隆哉, 鍵裕之, 飯高敏晃, 片山芳則, 井上徹, 八木健彦
  • Organizer: 日本地球惑星科学連合2011年度大会
  • Place of Presentation: 千葉日本
  • Year and Date: 2011-05-23
• [Presentation] 結晶構造予測法とGPUの生物学への応用 (2011)
  • Author(s): 飯高敏晃
  • Organizer: 理研シンポジウム:社会知創成中村特別研究室+揺律機能研究チーム連携ワークショップ「生物を律する揺らぎのメカニズムを追い求めて～光合成と生体信号～」
  • Place of Presentation: 和光日本
  • Year and Date: 2011-04-20
• [Presentation] 超大規模電子状態計算におけるπ状態ナノドメインの可視化解析 (2011)
  • Author(s): 星健夫, 川居 佳史, 秋山洋平
  • Organizer: 日本物理学会
  • Place of Presentation: 関西学院大学, 大阪
  • Year and Date: 2011-03-24
• [Presentation] Pythonを用いた電子状態計算むけ原子構造可視化ツールの開発 (2011)
  • Author(s): 星健夫、曽我部知広、山元進、西野信也、藤原毅夫、張紹良
  • Organizer: 非平衡を制御する科学 第2回研究会
  • Place of Presentation: 鳥取
  • Year and Date: 2011-03-19
• [Presentation] Krylov subspace methods for solving generalized shifted linear systems (2011)
  • Author(s): T. Sogabe, T. Hoshi, S.-L. Zhang, T. Fujiwara
  • Organizer: 非平衡を制御する科学 第2回研究会
  • Place of Presentation: 鳥取
  • Year and Date: 2011-03-19
  • Invited
• [Presentation] 結晶構造予測 (2011)
  • Author(s): 飯高敏晃
  • Organizer: 新学術領域研究・学術創成研究合同研究会「高圧中性子」
  • Place of Presentation: 那須日本
  • Year and Date: 2011-02-20
• [Presentation] 結晶構造予測法の氷科学、地球惑星科学、高圧物質科学への応用 (2011)
  • Author(s): 飯高敏晃
  • Organizer: 2010年度理研シンポジウムペタフロップス時代のセンターシステム
  • Place of Presentation: 和光
  • Year and Date: 2011-02-16
• [Presentation] Benchmark quantum Monte Carlo study of molecular crystals (2010)
  • Author(s): Kenta Hongo, Mark Watson, Carrena Sanzes, Toshiaki Iitaka, Alan Aspuru-Guzik
  • Organizer: International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2010)
  • Place of Presentation: Hawaii
  • Year and Date: 2010-12-15
• [Presentation] Stability of ferroelectric ice crystallite (2010)
  • Author(s): Toshiaki Iitaka
  • Organizer: 5th Asian Conference on High Pressure Research (ACHPR-5)
  • Place of Presentation: 松江
  • Year and Date: 2010-11-07
• [Presentation] Spin Density Wave in Chromium under High Pressure (2010)
  • Author(s): Zhi Li, John Tse, Toshiaki Iitaka
  • Organizer: 5th Asian Conference on High Pressure Research (ACHPR-5)
  • Place of Presentation: 松江
  • Year and Date: 2010-11-07
• [Presentation] First principles molecular dynamics study on filled ice hydrogen hydrate under pressure (2010)
  • Author(s): Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka
  • Organizer: 5th Asian Conference on High Pressure Research (ACHPR-5)
  • Place of Presentation: 松江
  • Year and Date: 2010-11-07
• [Presentation] Dissociation of methane under high pressure (2010)
  • Author(s): Guoying Gao, Artem Oganov, Yanming Ma, Hui Wang, Peifang Li, Yinwei Li, Toshiaki Iitaka, Guangtian Zou
  • Organizer: 5th Asian Conference on High Pressure Research (ACHPR-5)
  • Place of Presentation: 松江
  • Year and Date: 2010-11-07
• [Presentation] 氷Ih相の秩序相 (2010)
  • Author(s): 飯高敏晃
  • Organizer: 第51回高圧討論会
  • Place of Presentation: 仙台
  • Year and Date: 2010-10-20
• [Presentation] 高圧下の水素ハイドレート (2010)
  • Author(s): 張静雲, 郭哲来, 飯高敏晃
  • Organizer: 第51回高圧討論会
  • Place of Presentation: 仙台
  • Year and Date: 2010-10-20
• [Presentation] 高圧クロミウムのスピン密度波 (2010)
  • Author(s): 李志, TSE JOHN, 飯高敏晃
  • Organizer: 第51回高圧討論会
  • Place of Presentation: 仙台
  • Year and Date: 2010-10-20
• [Presentation] 氷Ih相の秩序無秩序相転移 (2010)
  • Author(s): 飯高敏晃
  • Organizer: 日本物理学会2010年秋季大会
  • Place of Presentation: 大阪
  • Year and Date: 2010-09-23
• [Presentation] 高圧下の水素ハイドレート (2010)
  • Author(s): 張静雲・郭哲来・飯高敏晃
  • Organizer: 日本物理学会2010年秋季大会
  • Place of Presentation: 大阪
  • Year and Date: 2010-09-23
• [Presentation] First principles molecular dynamics study on filled ice hydrogen hydrate under pressure (2010)
  • Author(s): Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka
  • Organizer: 12th International Conference of the Physics and Chemistry of Ice (PCI-2010)
  • Place of Presentation: 札幌
  • Year and Date: 2010-09-05
• [Presentation] Stability of ferroelectric ice (2010)
  • Author(s): Toshiaki Iitaka
  • Organizer: 12th International Conference of the Physics and Chemistry of Ice (PCI-2010)
  • Place of Presentation: 札幌
  • Year and Date: 2010-09-05
• [Presentation] J-PARC超高圧中性子回折装置PLANETの概要と現状 (2010)
  • Author(s): 服部高典, 有馬寛, 阿部淳, 佐野亜沙美, 内海渉, 永井隆哉, 鍵裕之, 飯高敏晃, 片山芳則, 井上徹, 八木健彦
  • Organizer: 日本地球惑星科学連合2010年度大会
  • Place of Presentation: 幕張
  • Year and Date: 2010-05-22
• [Presentation] 氷XI相の安定性 (2010)
  • Author(s): 飯高敏晃
  • Organizer: 日本地球惑星科学連合2010年度大会
  • Place of Presentation: 幕張
  • Year and Date: 2010-05-22
• [Presentation] 高圧下の水素ハイドレート (2010)
  • Author(s): 張静雲, 郭哲来, 飯高敏晃
  • Organizer: 日本地球惑星科学連合2010年度大会
  • Place of Presentation: 幕張
  • Year and Date: 2010-05-22
• [Presentation] 高圧下の水の第一原理分子動力学シミュレーション (2010)
  • Author(s): 池田隆司
  • Organizer: 日本物理学会第65回年次大会
  • Place of Presentation: 岡山市
  • Year and Date: 2010-03-23
• [Presentation] 電荷自己無撞着ASED法による量子分子動力学シミュレーション (2010)
  • Author(s): 西野信也, 山元進, 星健夫, 藤原毅夫
  • Organizer: 日本物理学会
  • Place of Presentation: 岡山市
  • Year and Date: 2010-03-10
• [Presentation] Hydrogen hydrate under high pressure (2010)
  • Author(s): Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka
  • Organizer: 4th General Meeting of ACCMS-VO Asian Consortium on Computational Materials Science-Virtual Organization
  • Place of Presentation: Sendai Japan
  • Year and Date: 2010-01-12
• [Presentation] 高圧下の水の第一原理分子動力学シミュレーション (2010)
  • Author(s): 池田隆司
  • Organizer: 日本物理学会第65回年次大会
  • Place of Presentation: 岡山
• [Presentation] 第一原理電子状態計算による地球深部水の研究 (2010)
  • Author(s): 土屋旬
  • Organizer: 愛媛大学上級研究員センターシンポジウム, 愛媛大学上級研究員センター
• [Presentation] 高圧下の水素ハイドレート (2010)
  • Author(s): 張静雲, 郭哲来, 飯高敏晃
  • Organizer: 日本地球惑星科学連合2010年度大会
  • Place of Presentation: 千葉日本
• [Presentation] Ab initio assessment of high-PT postperovskite phase equilibria in the MgSiO_3-Al_2O_3 pseudo binary system (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: American Geophysical Union, Fall Meeting 2009
  • Place of Presentation: San Francisco, USA
  • Year and Date: 2009-12-15
• [Presentation] Elasticity of serpentine : first principles investigation (2009)
  • Author(s): Jun Tsuchiya, Taku Tsuchiya, Ikno Katayama, Yusuke Usui
  • Organizer: American Geophysical Union, Fall Meeting 2009
  • Place of Presentation: San Francisco, USA
  • Year and Date: 2009-12-15
• [Presentation] GPGPUは「次世代スパコン」の敵か味方か (2009)
  • Author(s): 飯高敏晃
  • Organizer: 東京大学物性研究所 短期研究会 計算物理学
  • Place of Presentation: 千葉柏市
  • Year and Date: 2009-12-11
• [Presentation] Large-scale electronic structure calculation and nanomaterial process Novel algorithms in large-scale quantum-mechanical calculation and their application to nano-material processes (2009)
  • Author(s): T.Hoshi, S.Yamamoto, S.Nishino, H.Teng, S- Zhang, T.Fujiwara
  • Organizer: International Symposium of Electronic Structure Calculations -Theory, Correlated and Large Scale Systems and Numerical Methods-
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-12-08
• [Presentation] 量子分子動力学の並列GPU計算による高速化 (2009)
  • Author(s): 飯高敏晃
  • Organizer: 東京工業大学量子物理学・ナノサイエンス第22回セミナー
  • Place of Presentation: 東京 目黒区
  • Year and Date: 2009-11-30
• [Presentation] 量子分子動力学の並列GPU計算による高速化 (2009)
  • Author(s): 飯高敏晃
  • Organizer: 日本応用数理学会「行列・固有値問題の解法とその応用」研究部会 第8回研究会
  • Place of Presentation: 東京 千代田区
  • Year and Date: 2009-11-26
• [Presentation] GPU-Accelerated Massively Parallel Quantum olecular Dynamics Simulation (2009)
  • Author(s): 飯高敏晃
  • Organizer: 核融合科学研究所連携研究推進センター客員セミナー
  • Place of Presentation: 岐阜県 土岐市
  • Year and Date: 2009-11-20
• [Presentation] Large-scale electronic structure calculation theory and applications (2009)
  • Author(s): T.Fujiwara, S.Yamamoto, T.Hoshi, T.Sogabe, S.-L.Zhang, M.Ikeda, M.Nakashima, T.Mizuno, N.Watanabe, S.Nishino
  • Organizer: The 3rd Theory Meets Industry International Workshop
  • Place of Presentation: 名古屋
  • Year and Date: 2009-11-11
• [Presentation] 大規模量子分子動力学のGPUによる加速 (2009)
  • Author(s): 飯高敏晃
  • Organizer: 東京大学 理学部 第一原理勉強会
  • Place of Presentation: 東京
  • Year and Date: 2009-10-20
• [Presentation] First principles exploration for hydrogen in the deep Earth's mantle (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: Hydrogen and water in condensed matter physics
  • Place of Presentation: Chiba, Japan
  • Year and Date: 2009-10-13
• [Presentation] 大規模界面系計算における局所結合スペクトル解析 (2009)
  • Author(s): 星健夫
  • Organizer: 日本物理学会
  • Place of Presentation: 熊本市
  • Year and Date: 2009-09-28
• [Presentation] GPU-accelerated Massive Parallel Quantum Molecular Dynamics Simulation (2009)
  • Author(s): 飯高敏晃
  • Organizer: 5th Conference of Asian Consortium on Computational Materials Science(ACCMS-5)
  • Place of Presentation: Hanoi Viet Nam
  • Year and Date: 2009-09-07
• [Presentation] Elastic and vibrational properties of high pressure ice polymorphs (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: DFT-09
  • Place of Presentation: Lyon, France
  • Year and Date: 2009-09-01
• [Presentation] GPU-accelerated Computing for Earth and Planetary High Pressure Science (2009)
  • Author(s): 飯高敏晃
  • Organizer: Harvard-Riken Joint Symposium : Application of GPU Computation to Brain Science, Quantum Science, Astronomy, Fluid Dynamics and other sciences(HaRiken 09)
  • Place of Presentation: Wako Japan
  • Year and Date: 2009-08-27
• [Presentation] Accelerating Orbital-Free First Principles Calculation with Graphics Processing Unit (2009)
  • Author(s): 青木優, 伴野秀和, 飯高敏晃, 圓谷和雄
  • Organizer: Harvard-Riken Joint Symposium : Application of GPU Computation to Brain Science, Quantum Science, Astronomy, Fluid Dynamics and other sciences(HaRiken 09)
  • Place of Presentation: Wako Japan
  • Year and Date: 2009-08-27
• [Presentation] MEM charge density analysis by using GPU (2009)
  • Author(s): Hiroshi Tanaka, Tomonori Hattori, Toshiaki Iitaka, Masaki Takata
  • Organizer: Harvard-Riken Joint Symposium : Application of GPU Computation to Brain Science, Quantum Science, Astronomy, Fluid Dynamics and other sciences(HaRiken 09)
  • Place of Presentation: Wako Japan
  • Year and Date: 2009-08-27
• [Presentation] GPU Based Acceleration of First Principles Calculation (2009)
  • Author(s): 伴野秀和, 青木優, 飯高敏晃, 圓谷和雄
  • Organizer: Harvard-Riken Joint Symposium : Application of GPU Computation to Brain Science, Quantum Science, Astronomy, Fluid Dynamics and other sciences(HaRiken 09)
  • Place of Presentation: Wako Japan
  • Year and Date: 2009-08-27
• [Presentation] Review of high pressure phases of calcium by the first-principles calculation (2009)
  • Author(s): T.Ishikawa, H.Nagara, K.Kusakabe, N.Suzuki, J.Tsuchiya, T.Tsuchiya
  • Organizer: AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 2009-07-29
• [Presentation] Ab initio assessment of high-PT thermodynamics in multi component mineral systems : Application to postperovskite phase equilibria in the MgSiO_3-Al_2O_3 system (2009)
  • Author(s): 土屋卓久, 土屋旬
  • Organizer: AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 2009-07-29
• [Presentation] First-principles investigations on the elastic properties of hydrous minerals under pressure (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 2009-07-28
• [Presentation] Large scale simulation of quantum mechanical molecular dynamics for nano-polycrystalline diamond (2009)
  • Author(s): T.Hoshi, T.Iitaka, M.Fyta
  • Organizer: Joint AIRAPT-22 & HPCJ-50(International Conference on High Pressure Science and Technology)
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-07-28
• [Presentation] GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers (2009)
  • Author(s): 飯高敏晃
  • Organizer: International Conference on High PressureScience and Technology, Joint AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-07-28
• [Presentation] Earth science based on high-pressure and high-temperature neutron experiments : A new project using J-PARC (2009)
  • Author(s): Takehiko Yagi, Takaya Nagai, Toru Inoue, Yoshinori Katayama, Toshiaki Iitaka
  • Organizer: International Conference on High Pressure Science and Technology, Joint AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-07-28
• [Presentation] Structural search with evolution algorithm The structure of solid H2S at high pressure (2009)
  • Author(s): John Tse, Toshiaki Iitaka, Eunja Kim, Yansun Yao
  • Organizer: International Conference on High Pressure Science and Technology, Joint AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-07-28
• [Presentation] Novel high pressure phases of SnH4 (2009)
  • Author(s): Guoying Gao, Artem Oganov, Yanming Ma, Aitor Bergara, Toshiaki Iitaka
  • Organizer: International Conference on High Pressure Science and Technology, Joint AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-07-28
• [Presentation] Acceleration of orbital-free first principles calculation with GPU (2009)
  • Author(s): 青木優, 伴野秀和, 飯高敏晃, 圓谷和雄
  • Organizer: International Conferenceon High Pressure Science and Technology, Joint AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-07-28
• [Presentation] GPU based acceleration of first principles calculation (2009)
  • Author(s): 伴野秀和, 青木優, 飯高敏晃, 圓谷和雄
  • Organizer: International Conference on High Pressure Science and Technology, Joint AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo Japan
  • Year and Date: 2009-07-28
• [Presentation] GPU-accelerated Quantum Molecular Dynamics Simulation of 3-dimensional C60 Polymers (2009)
  • Author(s): 飯高敏晃
  • Organizer: International Conference on Materials for AdvancedTechnologies 2009(ICMAT 2009)
  • Place of Presentation: Singapore Singapore
  • Year and Date: 2009-06-28
• [Presentation] Ab initio assessment of high-PT thermodynamics in multi component mineral systems : Application to postperovskite phase equilibria in the MgSiO_3-Al_2O_3 system (2009)
  • Author(s): 土屋卓久, 土屋旬
  • Organizer: Goldschmidt 2009
  • Place of Presentation: Davos, SWITZERLAND
  • Year and Date: 2009-06-24
• [Presentation] First principles investigation on the elastic and vibrational properties of hydrous wadsleyite under pressure (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: Goldschmidt 2009
  • Place of Presentation: Davos, SWITZERLAND
  • Year and Date: 2009-06-24
• [Presentation] GPUによる平面波基底第一原理計算の高速化 (2009)
  • Author(s): 伴野秀和, 青木優, 飯高敏晃, 圓谷和雄
  • Organizer: 第28回日本シミュレーション学会大会
  • Place of Presentation: 東京 江東区
  • Year and Date: 2009-06-11
• [Presentation] 第一原理計算の高速化 (2009)
  • Author(s): 青木優, 伴野秀和, 飯高敏晃, 圓谷和雄
  • Organizer: 第28回日本シミュレーション学会大会
  • Place of Presentation: 東京 江東区
  • Year and Date: 2009-06-11
• [Presentation] First principles investigation on hydrous wadsleyite under pressure (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: GRC-BGI Workshop on Deep Earth Mineralogy
  • Place of Presentation: Bayreuth, GERMANY
  • Year and Date: 2009-06-01
• [Presentation] First principles investigation on hydrogen diffusivity in hydrous wadsleyite under pressure (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: 日本地球惑星科学連合大会
  • Place of Presentation: 千葉市、幕張
  • Year and Date: 2009-05-18
• [Presentation] Perovskite and post perovskite phase relation in the MgSiO_3-Al_2O_3 system (2009)
  • Author(s): 土屋旬、土屋卓久
  • Organizer: 日本地球惑星連合大会
  • Place of Presentation: 千葉・幕張
  • Year and Date: 2009-05-17
• [Presentation] J-PARCを用いた高温高圧中性子実験と地球科学 (2009)
  • Author(s): 八木健彦, 永井隆哉, 井上徹, 片山芳則, 飯高敏晃
  • Organizer: 日本地球惑星科学連合2009年大会
  • Place of Presentation: 千葉市、幕張
  • Year and Date: 2009-05-17
• [Presentation] 中性子実験と地球惑星科学に関連する物質の量子シミュレーション (2009)
  • Author(s): 飯高敏晃
  • Organizer: 日本地球惑星科学連合2009年大会
  • Place of Presentation: 千葉市、幕張
  • Year and Date: 2009-05-17
• [Presentation] 3次元C60ポリマーの有限温度ダイナミクス (2009)
  • Author(s): 飯高 敏晃
  • Organizer: 日本物理学会 第64回年次大会
  • Place of Presentation: 東京
  • Year and Date: 2009-03-27
• [Presentation] ナノ多結晶ダイアモンドの大規模電子構造計算 (2009)
  • Author(s): 星 健夫
  • Organizer: 日本物理学会 第64回年次大会
  • Place of Presentation: 東京
  • Year and Date: 2009-03-27
• [Presentation] Perovskite and post perovskite phase relation in theMgSiO3-A1203 system (2009)
  • Author(s): 土屋旬, 土屋卓久
  • Organizer: 日本地球惑星科学連合大会
  • Place of Presentation: 幕張メッセ(招待講演)
• [Presentation] 多結晶ナノダイヤモンドの大規模量子シミュレーション (2008)
  • Author(s): 星健夫, 飯高敏晃, フィタ・マリア
  • Organizer: 第49回高圧討論会
  • Place of Presentation: 姫路商工会議所(姫路)
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