Diffusion Monte Carlo method for extended systems

• Project/Area Number: 17064016
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Japan Advanced Institute of Science and Technology (2007-2008); National Institute for Materials Science (2005-2006)
• Principal Investigator: MAEZONO Ryo Japan Advanced Institute of Science and Technology, 情報科学研究科, 講師 (40354146)
• Co-Investigator(Kenkyū-buntansha): SASAKI Taizo 独立行政法人物質・材料研究機構, 計算科学センター, グループリーダー (60343852) ; ARAI Masao 独立行政法人物質・材料研究機構, 計算科学センター, 主幹研究員 (40222723)
• Project Period (FY): 2005 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥30,800,000 (Direct Cost: ¥30,800,000); Fiscal Year 2008: ¥1,700,000 (Direct Cost: ¥1,700,000); Fiscal Year 2007: ¥9,700,000 (Direct Cost: ¥9,700,000); Fiscal Year 2006: ¥9,700,000 (Direct Cost: ¥9,700,000); Fiscal Year 2005: ¥9,700,000 (Direct Cost: ¥9,700,000)
• Keywords: 電子状態 / 密度汎関数法 / 量子モンテカルロ法 / 固体物理 / 計算科学 / 密度汎関数

Research Abstract

以下につき成果を論文に出版した : 固体周期系量子モンテカルロ計算によるダイアモンド固体の基礎物性計算、固体標準模型上のハバードのUパラメタの成因、ポルフィリン遷移金属錯体の擬ポテンシャル高精度計算、フラグメント法とQMC 法を組合わせた方法論の開発。スピン偏極下での多体摂動法による励起スペクトル。以下は進行中の題目である:一様媒質に埋込まれた原子の計算、珪素固体の基礎物性計算。AlN, GaN, InN など窒化物のバンドギャップ評価。

Research Products

• [Journal Article] Quantum Hall effects of graphene with multiple orbitals : Topological numbers, Boltzmann conductance, and semiclassical quantization (2009)
  • Author(s): M. Arai and Y. Hatsugai
  • Journal Title: Physical Review B 79
  • Peer Reviewed
• [Journal Article] Jun Koseki, Ryo Maezono, Masanori Tachikawa, M.D. Towler, and R.J. Needs (2008)
  • Author(s): Quantum Monte Carlo study of porphyrin transition metal complexes
  • Journal Title: J. Chem. Phys. 129
  • Peer Reviewed
• [Journal Article] Quasiparticle energy spectra of alkali-metal clusters : All-electron first-principles calculations (2008)
  • Author(s): Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, and Taizo Sasaki
  • Journal Title: J. Chem. Phys. 129 Pages: 104104-104104
  • Peer Reviewed
• [Journal Article] First principles T-matrix calculations for Auger spectra of hydrocarbon systems (2008)
  • Author(s): Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki
  • Journal Title: Phys. Rev. B77
  • Peer Reviewed
• [Journal Article] ab initio calculation of chain structures in chalcohalide glasses (2008)
  • Author(s): Shigeru Suehara, Olivier Noguera, Takashi Aizawa, Taizo Sasaki, and Jacques Lucas
  • Journal Title: J. NON-CRYSTALLINE SOLIDS 354 Pages: 168-172
  • Peer Reviewed
• [Journal Article] High temperature ferromagnetism in single crystalline dilute Fe-doped BaTiO3 (2008)
  • Author(s): Sugata Ray, Priya Mahadevan, Suman Mandal, S. R. Krishnakumar, Carlos Seiti Kuroda, Taizo Sasaki, Tomoyasu Taniyama, and Mitsuru Itoh
  • Journal Title: Phys. Rev. B77 Pages: 104416-104416
  • Peer Reviewed
• [Journal Article] Effects of deformation on the electronic structure of a single-walled carbon nanotube bundle (2008)
  • Author(s): Dong Chen, Taizo Sasaki, Jie Tang, and Lu-Chang Qin
  • Journal Title: Phys. Rev. B77 Pages: 125412-125412
  • Peer Reviewed
• [Journal Article] Quantum Hall effects of graphene with multiple orbitals : Topological numbers, Boltzmann conductance, and semiclassical quantization (2008)
  • Author(s): M. Arai and Y. Hatsugai
  • Journal Title: Physical Review B79
  • Peer Reviewed
• [Journal Article] Quantum Monte Carlo study of porphyrin transition metal complexes (2008)
  • Author(s): Jun Koseki, Ryo Maezono, Masanori Tachikawa, M. D. Towler, and R. J. Needs
  • Journal Title: Journal of Chemical Physics 129 Pages: 85103-85103
  • NAID: 120006718476
  • Peer Reviewed
• [Journal Article] Quasiparticle energy spectra of alkali-metal clusters : All-electron first-principles calculations (2008)
  • Author(s): Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, and Taizo Sasaki
  • Journal Title: Journal of Chemical Physics 129
  • Peer Reviewed
• [Journal Article] First principles T-matrix calculations for Auger spectra of hydrocarbon systems (2008)
  • Author(s): Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki
  • Journal Title: Physical Review B 77 Pages: 35132-35138
  • Peer Reviewed
• [Journal Article] ab initio calculation of chain structures in chalcohalide glasses (2008)
  • Author(s): Shigeru Suehara, Olivier Noguera, Takashi Aizawa, Taizo Sasaki, and Jacques Lucas
  • Journal Title: Journal of Non-Crystalline Solids 354 Pages: 198-172
  • Peer Reviewed
• [Journal Article] High temperature ferromagnetism in single crystalline dilute Fe-doped BaTiO3 (2008)
  • Author(s): Sugata Ray, Priya Mahadevan, Suman Mandal, S. R. Krishnakumar, Carlos Seiti, Kuroda, Taizo Sasaki, Tomoyasu Taniyama, and Mitsuru Itoh
  • Journal Title: Physical Review B 77 Pages: 104416-104421
  • Peer Reviewed
• [Journal Article] Effects of deformation on the electronic structure of a single-walled carbon nanotube bundle (2008)
  • Author(s): Dong Chen, Taizo Sasaki, Jie Tang, and Lu-Chang Qin
  • Journal Title: Physical Review B 77 Pages: 125412-125421
  • Peer Reviewed
• [Journal Article] First principles T-matrix calculations for Auger spectra of hydrocarbon systems (2008)
  • Author(s): Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki
  • Journal Title: Phys. Rev. B 77 Pages: 351321-7
  • Peer Reviewed
• [Journal Article] Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations (2007)
  • Author(s): R. Maezono, A. Ma, M.D. Towler, and R. J. Needs
  • Journal Title: Phys. Rev. Lett. 98 Pages: 25701-25701
  • Peer Reviewed
• [Journal Article] Fragmentation method combined with Quantum Monte Carlo calculations (2007)
  • Author(s): R. Maezono, H. Watanabe, S. Tanaka, M.D. Towler, and R.J. Needs
  • Journal Title: J. Phys. Soc. Jpn. 76
  • NAID: 110006342594
  • Peer Reviewed
• [Journal Article] Ab initio study of monoclinic iridium nitride as a high bulk modulus compound (2007)
  • Author(s): Yuan Xu Wang, Masao Arai, Taizo Sasaki and Chang Zeng Fan
  • Journal Title: Phys. Rev. B75 Pages: 104110-104110
  • Peer Reviewed
• [Journal Article] Charge transport and ferromagnetic critical behavior of the correlated 3d perovskite Sr_1-x Ce_x CoO_3 (2007)
  • Author(s): S. Balamurugan, K. Yamaura, Masao Arai, E. Takayama-Muromachi
  • Journal Title: Phys. Rev. B76
  • Peer Reviewed
• [Journal Article] First-principles study of the (001) surface of cubic SrZrO3 (2007)
  • Author(s): Y. X. Wang, Masao Arai
  • Journal Title: Surf. Sci. *601* Pages: 4092-4096
  • Peer Reviewed
• [Journal Article] NaV2O4 : A Quasi-1D Metallic Antiferromagnet with Half-Metallic Chains (2007)
  • Author(s): K. Yamaura, Masao Arai, A. Sato, A. B. Karki, D. P. Young, R. Movshovich, S. Okamoto, D. Mandrus, and E. Takayama-Muromachi
  • Journal Title: Phys. Rev. Lett. 99, No.19
  • Peer Reviewed
• [Journal Article] Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations (2007)
  • Author(s): R. Maezono, A. Ma, M. D. Towler, and R. J. Needs
  • Journal Title: Phys. Rev. Lett. 98 Pages: 25701-4
  • Peer Reviewed
• [Journal Article] Fragmentation method combined with Quantum Monte Carlo calculations (2007)
  • Author(s): R. Maezono, H. Watanabe, S. Tanaka, M. D. Towler, and R. J. Needs
  • Journal Title: J. Phys. Soc. Jpn. 76 76 Pages: 643011-5
  • NAID: 110006342594
  • Peer Reviewed
• [Journal Article] Ab initio study of monoclinic iridium nitride as a high bulk modulus compound (2007)
  • Author(s): Yuan Xu Wang, Masao Arai, Taizo Sasaki and Chang Zeng Fan
  • Journal Title: Phys. Rev. B 75 Pages: 1041101-6
  • Peer Reviewed
• [Journal Article] Charge transport and ferromagnetic critical behavior of the correlated 3d perovskite Sr_<1-x> Ce_x CoO_3 (2007)
  • Author(s): S. Balamurugan, K. Yamaura, Masao Arai, E. Takayama-Muromachi
  • Journal Title: Phys. Rev. B 76 Pages: 144141-6
  • Peer Reviewed
• [Journal Article] First-principles study of the (001) surface of cubic SrZrO3 (2007)
  • Author(s): Y. X. Wang, Masao Arai
  • Journal Title: Surf. Sci. 601 Pages: 4092-4096
  • Peer Reviewed
• [Journal Article] NaV204: A Quasi-1D Metallic Antiferromagnet with Half-Metallic Chain (2007)
  • Author(s): K. Yamaura, Masao Arai, A. Sato, A. B. Karki, D. P. Young, R. Movshovich, S. Okamoto, D. Mandrus, and E. Takayama-Muromachi
  • Journal Title: Phys. Rev. Lett. 99 Pages: 1966011-4
  • Peer Reviewed
• [Journal Article] First-principles study of the (001) surface of cubic CaTiO3 (2006)
  • Author(s): Yuan Xu Wang, Masao Arai, Taizo Sasaki, and Chun Lei Wan
  • Journal Title: Phys. Rev. B73 Pages: 35411-35411
  • Peer Reviewed
• [Journal Article] Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations (2006)
  • Author(s): R. Maezono, A. Ma, M.D. Towler, and R. J. Needs
  • Journal Title: Phys. Rev. Lett. 98 Pages: 25701-25701
  • Peer Reviewed
• [Journal Article] ナノ・クラスタ科学における精密電子状態計算 (2005)
  • Author(s): 前園 涼
  • Journal Title: ナノ学会会報 第3巻2号 Pages: 87-95
  • NAID: 40006726315
  • Peer Reviewed
• [Journal Article] Dielectric Property and Electronic Structure of LaNbO4 (2005)
  • Author(s): Masao Arai, Y. X. Wang, S. Kohiki, M.i Matsuo, H. Shimooka, T. Shishido and M. Oku
  • Journal Title: Japanese Journal of Applied Physics 44 Pages: 6596-6599
  • NAID: 130004766345
  • Peer Reviewed
• [Journal Article] Dielectric Property and Electronic Structure of LaNbO4 (2005)
  • Author(s): Masao Arai, Y.X.Wang, S.Kohiki, M.i Matsuo, H.Shimooka, T.Shishido, M.Oku
  • Journal Title: Japanese Journal of Applied Physics Vol.44 Pages: 6596-6599
  • NAID: 130004766345
• [Presentation] 拡散モンテカルロ法を用いた電子状態計算 (2008)
  • Author(s): 前園涼
  • Organizer: 3rd. workshop on Correlation issues in electronic structure calculations
  • Place of Presentation: 北陸先端科学技術大学院大学・情報科学研究科
  • Year and Date: 2008-12-11
• [Presentation] Electronic structure calculations using Quantum Monte Carlo method (2008)
  • Author(s): 本郷研太、前園涼
  • Organizer: International Conference for High Performance Computing, Networking, Storage and Analysis 2008
  • Place of Presentation: オースチン/アメリカ合衆国
  • Year and Date: 2008-11-16
• [Presentation] New Random Number generators tested on Ab-initio Quantum Monte Carlo Calculations (2008)
  • Author(s): 前園涼、本郷研太
  • Organizer: The 11th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 高雄市/台湾
  • Year and Date: 2008-11-04
• [Presentation] 多成分量子モンテカルロ法による陽電子ハロゲン化物複合体の理論的解析 (2008)
  • Author(s): 竹田知弘、北幸海、前園涼、立川仁典
  • Organizer: 第2回分子科学討論会2008福岡
  • Place of Presentation: 福岡国際会議場
  • Year and Date: 2008-09-24
• [Presentation] マルチバンドモデルによるグラフェンの量子ホール効果 (2008)
  • Author(s): 新井正男、初貝安弘
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学
  • Year and Date: 2008-09-22
• [Presentation] マルチバンドモデルによるグラフェンの量子ホール効果 (2008)
  • Author(s): 新井正男, 初貝安弘
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学/岩手
  • Year and Date: 2008-09-22
• [Presentation] 多成分量子モンテカルロ法による陽電子ハロゲン化物複合体の理論的解析 (2008)
  • Author(s): 北幸海、前園涼、立川仁典
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学/岩手
  • Year and Date: 2008-09-22
• [Presentation] ロジウム酸化物CaRhO3のポストペロブスカイト相転移 (2008)
  • Author(s): 白子雄一、糀谷浩、赤荻正樹、山浦一成、新井正男、室町英治
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学
  • Year and Date: 2008-09-20
• [Presentation] (Ca1-xNax)Co2O4 の合成と物性 (2008)
  • Author(s): 磯部雅朗、新井正男、室町英治
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学
  • Year and Date: 2008-09-20
• [Presentation] 高圧条件下におけるダイアモンド結晶のラマン周波数計算 (2008)
  • Author(s): 前園涼、A. Ma、M.D. Towler、R.J. Needs
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学
  • Year and Date: 2008-09-20
• [Presentation] ロジウム酸化物CaRhO3のポストペロブスカイト相転移 (2008)
  • Author(s): 白子雄一, 糀谷浩, 赤荻正樹, 山浦一成, 新井正男, 室町英治
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学/岩手
  • Year and Date: 2008-09-20
• [Presentation] (Cal-xNax)Co2O4の合成と物性 (2008)
  • Author(s): 磯部雅朗, 新井正男, 室町英治
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手大学/岩手
  • Year and Date: 2008-09-20
• [Presentation] 高圧条件下におけるダイアモンド結晶のラマン周波数計算 (2008)
  • Author(s): 前園涼, A. Ma, M. D. Towler, R. J. Needs
  • Organizer: 日本物理学会秋季大会(2008年)
  • Place of Presentation: 岩手大学/岩手
  • Year and Date: 2008-09-20
• [Presentation] Quantum Monte Carlo studies of chromium dimer Cr2 (2008)
  • Author(s): 前園涼
  • Organizer: 8th Congress of the World Association of Theoretical and Computational Chemists
  • Place of Presentation: シドニー/オーストラリア
  • Year and Date: 2008-09-14
• [Presentation] Quantum Monte Carlo studies of chromium dimer Cr2 (2008)
  • Author(s): 前園涼
  • Organizer: 8th Congress of the World Association of The oretical and Computational Chemists
  • Place of Presentation: シドニー/オーストラリア
  • Year and Date: 2008-09-14
• [Presentation] Development of Translational and Rotational Free Quantum Monte Carlo Method (2008)
  • Author(s): 北幸海、前園涼、立川仁典
  • Organizer: 8th Congress of the World Association of Theoretical and Computational Chemists
  • Place of Presentation: シドニー/オーストラリア
  • Year and Date: 2008-09-14
• [Presentation] Theoretical analysis on positron halide complex by multi-component Quantum Monte Carlo method (2008)
  • Author(s): 竹田知弘、前園涼、立川仁典、北幸海
  • Organizer: 8th Congress of the World Association of The oretical and Computational Chemists
  • Place of Presentation: シドニー/オーストラリア
  • Year and Date: 2008-09-14
• [Presentation] Quantum Monte Carlo studies of chromium dimer Cr2 (2008)
  • Author(s): 前園涼
  • Organizer: Quantum Monte Carlo in the Apuan Alps IV
  • Place of Presentation: バリコ・ソット/イタリア共和国
  • Year and Date: 2008-08-01
• [Presentation] Quantum Monte Carlo calculations of NiO (2008)
  • Author(s): 前園涼
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 東京
  • Year and Date: 2008-06-02
• [Presentation] Electronic Structure and Thermoelectric Property of CaCo2O4 (2008)
  • Author(s): M. Arai, M. Isobe, E. Takayama-Muromachi
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 東京
  • Year and Date: 2008-06-02
• [Presentation] Quantum Monte Carlo calculations of NiO (2008)
  • Author(s): 前園涼
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館/東京
  • Year and Date: 2008-06-02
• [Presentation] Electronic Structure and Thermoelectric Property of CaCo204 (2008)
  • Author(s): M. Arai, M. Isobe, E. Takayama-Muromachi
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館/東京
  • Year and Date: 2008-06-02
• [Presentation] Fragmentation method combined with Quantum Monte Carlo culations (2008)
  • Author(s): 前園涼
  • Organizer: Conference on Molecular Simulations in Biosystems and Material Science
  • Place of Presentation: コンスタンツ/ドイツ連邦共和国
  • Year and Date: 2008-04-02
• [Presentation] 多成分量子モンテカルロ法による水素イオンクラスターの研究 (2008)
  • Author(s): 北幸海、前園涼, 立川仁典
  • Organizer: 日本化学会第88回春季年会
  • Place of Presentation: 立教大学池袋キャンパス
  • Year and Date: 2008-03-26
• [Presentation] 空間反転対称性のない超伝導体の上部臨界磁場 (2008)
  • Author(s): 新井正男、北孝文
  • Organizer: 日本物理学会第63回年会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-24
• [Presentation] 空間反転対称性のない超伝導体の上部臨界磁場 (2008)
  • Author(s): 新井正男、北孝文
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 関西大学
  • Year and Date: 2008-03-24
• [Presentation] 拡散モンテカルロ法によるNiOの基底状態計算 (2008)
  • Author(s): 前園涼、マイク・タウラー、リチャード・ニーズ
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-23
• [Presentation] 拡散モンテカルロ法によるNi0の基底状態計算 (2008)
  • Author(s): 前園涼、マイク・タウラー、リチャード・ニーズ
  • 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、大阪府東大阪市
  • Year and Date: 2008-03-23
• [Presentation] 多成分量子モンテカルロ法による水素イオンクラスターの研究 (2008)
  • Author(s): 北幸海、前園涼, 立川仁典
  • 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、大阪府東大阪市
  • Year and Date: 2008-03-23
• [Presentation] Quantum Monte Carlo calculations of NiO (2008)
  • Author(s): Ryo Maezono, M.D. Towler, and R.J. Needs
  • Organizer: APS March Meeting 2008
  • Place of Presentation: ニューオリンズ/アメリカ合衆国
  • Year and Date: 2008-03-13
• [Presentation] Quantum Monte Carlo calculations of Ni0 (2008)
  • Author(s): Ryo Maezono, M. D. Towler, and R. J. Needs
  • Organizer: 米国物理学会
  • Place of Presentation: 米国、ルイジアナ州、ニューオリンズ
  • Year and Date: 2008-03-13
• [Presentation] 拡散モンテカルロ法によるポルフィリンの第一原理計算 (2008)
  • Author(s): 前園涼
  • Organizer: 菅野シンポジウム(第2期第4回)「配位子場の科学が明かす先端物質の特性 -触媒・磁性・生理現象-」
  • Place of Presentation: 中央大学
  • Year and Date: 2008-03-08
• [Presentation] 拡散モンテカルロ法によるポルフィリンの第一原理計算 (2008)
  • Author(s): 前園涼
  • Organizer: 菅野シンポジウム(第2期第4回)「配位子場の科学が明かす先端物質の特性-触媒・磁性・生理現象-」
  • Place of Presentation: 中央大学後楽園キャンパス(東京都文京区)
  • Year and Date: 2008-03-08
• [Presentation] Dong Chen、The Role of the Coulomb Interactions in the Absolute Hardness (2008)
  • Author(s): 佐々木泰造
  • Organizer: The 11th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 高雄市/台湾
• [Presentation] New One-Dimensional Cobalt Oxide CaCo2O4 : A Potential Thermoelectric Material (2008)
  • Author(s): M. Isobe, E. Takayama-Muromachi, M. Arai
  • Organizer: The 6th International Conference on Inorganic Materials
  • Place of Presentation: ドレスデン/ドイツ連邦共和国
• [Presentation] New One-Dimensional Cobalt Oxide CaCo204 ; A Potential Thermoelectric Material (2008)
  • Author(s): M. Isobe, E. Takayama-Muromachi, M. Arai
  • Organizer: The 6th International Conference on Inorganic Materials
  • Place of Presentation: ドレスデン/ドイツ連邦共和国
• [Presentation] The Role of the Coulomb Interactions in the Absolute Hardness (2008)
  • Author(s): 佐々木泰造、Dong Chen
  • Organizer: The 11th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 高雄市/台湾
• [Presentation] 遷移金属イオンを含む生化学分子の電子論的精密計算 (2007)
  • Author(s): 前園涼
  • Organizer: H19年度シミュレーション技術の革新と実用化基盤の構築CREST・さきがけシンポジウム
  • Place of Presentation: アルカディア市ヶ谷
  • Year and Date: 2007-11-20
• [Presentation] 遷移金属イオンを含む生化学分子の電子論的精密計算 (2007)
  • Author(s): 前園涼
  • Organizer: H19年度シミュレーション技術の革新と実用化基盤の構築CREST・さきがけシンポジウム
  • Place of Presentation: アルカディア市ケ谷(私学会館)、東京都
  • Year and Date: 2007-11-20
• [Presentation] Electronic structure calculations using Quantum Monte Carlo method (2007)
  • Author(s): Ryo Maezono, Kenta Hongo, Kosei Tsusima, Yu Yaguchi
  • Organizer: International Conference on High Performance Computing, Networking, Storage and Analysis 2007
  • Place of Presentation: リノ/アメリカ合衆国
  • Year and Date: 2007-11-16
• [Presentation] Electronic structure calculations using Quantum Monte Carlo method (2007)
  • Author(s): Ryo Maezono, Kenta Hongo, Kosei Tsusima, Yu Yaguchi
  • Organizer: International Conference on High Performance Computing, Networking, Storage and Analysis2007
  • Place of Presentation: 米国ネバダ州リノ
  • Year and Date: 2007-11-16
• [Presentation] Electronic structure calculations using Quantum Monte Carlo method (2007)
  • Author(s): Ryo MAEZONO
  • Organizer: Cray Technical Workshop 2007
  • Place of Presentation: 明治記念館
  • Year and Date: 2007-10-10
• [Presentation] Electronic structure calculations using Quantum Monte Carlo method (2007)
  • Author(s): Ryo MAEZONO
  • Organizer: Cray Technical Workshop 2007
  • Place of Presentation: 明治記念館 芙蓉の間、東京都港区
  • Year and Date: 2007-10-10
• [Presentation] 第一原理T-matrix計算によるCH4分子のオージェスペクトル (2007)
  • Author(s): 野口良史、石井聡、大野かおる、ソロビヨフ,イゴール、佐々木泰造
  • Organizer: 日本物理学会 第62回年次大会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-22
• [Presentation] 多成分量子モンテカルロ法による多原子分子への陽電子吸着に関する理論的研究 (2007)
  • Author(s): 北幸海、前園涼, 立川仁典
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-21
• [Presentation] Many-body wave function method by diffusion Monte Carlo calculation (2007)
  • Author(s): 前園涼
  • Organizer: d-π系に関するバイオマテリアル科学研究会
  • Place of Presentation: 北陸先端科学技術大学院大学
  • Year and Date: 2007-09-13
• [Presentation] Many-body wave function method by diffusion Monte Carlo calculation (2007)
  • Author(s): 前園涼
  • Organizer: d-π系に関するバイオマテリアル科学研究会
  • Place of Presentation: 北陸先端科学技術大学院大学 先端融合領域研究院
  • Year and Date: 2007-09-13
• [Presentation] First principles calculations of C (KVV) Auger spectra of small hydrocarbon molecules using T-matrix theory (2007)
  • Author(s): Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor V. Solovyev, and Taizo Sasaki
  • Organizer: the 4th Asian Cortium on computational Materials Science
  • Place of Presentation: 韓国、ソウル
  • Year and Date: 2007-09-12
• [Presentation] Fragmentation method combined with Quantum Monte Carlo calculations (2007)
  • Author(s): Ryo Maezono, Hirofumi Watanabe, Shigenori Tanaka, Mike Towler, Richard Needs
  • Organizer: Advances in continuum quantum Monte Carlo methods
  • Place of Presentation: リヨン/フランス共和国
  • Year and Date: 2007-08-27
• [Presentation] Fragmentation method combined with Quantum Monte Carlo calculations (2007)
  • Author(s): Ryo Maezono, Hirofumi Watanabe, Shigenori Tanaka, Mike Towler, Richard Needs
  • Organizer: Centre Europeen de Calcul Atomique et Moleculaire
  • Place of Presentation: フランス、リヨン
  • Year and Date: 2007-08-27
• [Presentation] Pseudo potential QMC calculations of Porphyrin complexes (2007)
  • Author(s): Ryo MAEZONO
  • Organizer: ISSP International Workshop/Symposium on Foundations and Applications of the Density Functional Theory
  • Place of Presentation: 東京大学物性研究所
  • Year and Date: 2007-07-30
• [Presentation] Pseudo potential QMC calculations of Porphyrin complexes (2007)
  • Author(s): Ryo MAEZONO
  • Organizer: ISSP International Workshop / Symposium on "Foundations and Applications of the Density Functional Theory"
  • Place of Presentation: 東京大学物性研究所
  • Year and Date: 2007-07-30
• [Presentation] Pseudo potential QMC calculations of Porphyrin complexes (2007)
  • Author(s): Ryo MAEZONO
  • Organizer: Quantum Monte Carlo in the Apuan Alps III
  • Place of Presentation: バリコ・ソット/イタリア共和国
  • Year and Date: 2007-07-21
• [Presentation] Pseudo potential QMC calculations of Porphyrin complexes (2007)
  • Author(s): Ryo MAEZONO
  • Organizer: Quantum Monte Carlo in the Apuan Alps III
  • Place of Presentation: タウラー研究所、バリコ・ソット村、トスカニー、イタリア
  • Year and Date: 2007-07-21
• [Presentation] 反転対称性のない超伝導体の上部臨界磁場に対するパウリ常磁性効果 (2007)
  • Author(s): 新井正男, 北孝文
  • Organizer: 2007年日本物理学会春季大会
  • Place of Presentation: 鹿児島大学
  • Year and Date: 2007-03-19
• [Presentation] クロム・ダイマーの結合に関する拡散モンテカルロ計算 (2007)
  • Author(s): 前園涼、Lucus Wagner、Michal Bajdich、Lubos Mitas
  • Organizer: 日本物理学会2007年春季大会
  • Place of Presentation: 鹿児島大学
  • Year and Date: 2007-03-18
• [Presentation] Diffusion Monte Carlo study on Chromium dimer (2007)
  • Author(s): Ryo Maezono, Lucas K. Wagner, Michal Bajdich, Jindrich Kolorenc, Lubos Mitas
  • Organizer: APS March Meeting 2007
  • Place of Presentation: デンバー/アメリカ合衆国
  • Year and Date: 2007-03-06
• [Presentation] My recent collaborations/QMC calculation on Cr dimer (2007)
  • Author(s): Ryo MAEZONO
  • Organizer: 2nd workshop on Correlation issues in electronic structure calculations
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-02-15
• [Presentation] First principles calculations of C(KVV) Auger spectra of small hydrocarbon molecules using T-matrix theory (2007)
  • Author(s): Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor V. Solovyev, and Taizo Sasaki
  • Organizer: the 4th Asian Cortium on computational Materials Science
  • Place of Presentation: ソウル/大韓民国
• [Presentation] Biomolecular calculations using Ab Initio Quantum Monte Carlo technique combined with Fragment Molecular Orbital Method (2006)
  • Author(s): Ryo Maezono, Hirofumi Watanabe, Shigenori Tanaka, M.D. Towler, and R.J. Needs
  • Organizer: International Conference on Quantum Simulators and Design
  • Place of Presentation: 広島大学
  • Year and Date: 2006-12-05
• [Presentation] Biomolecular calculations using Ab Initio Quantum Monte Carlo technique combined with Fragment Molecular Orbital Method (2006)
  • Author(s): Ryo Maezono, Hirofumi Watanabe, Shigenori Tanaka, M.D. Towler, and R.J. Needs
  • Organizer: The 9th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: ソウル/大韓民国
  • Year and Date: 2006-11-06
• [Presentation] LiB2 及びその関連物質の第一原理計算 (2006)
  • Author(s): 小林一昭, 新井正男
  • Organizer: 日本物理学会秋季大会
  • Place of Presentation: 千葉大学
  • Year and Date: 2006-09-23
• [Presentation] The Fragment method in QMC (2006)
  • Author(s): Ryo MAEZONO
  • Organizer: Quantum Monte Carlo in the Apuan Alps II
  • Place of Presentation: バリコソット/イタリア共和国
  • Year and Date: 2006-07-28
• [Presentation] Recent trend in ab-initio QMC studie (2006)
  • Author(s): Ryo MAEZONO
  • Organizer: Computational Science Workshop 2006 (CSW2006)
  • Place of Presentation: 産業技術総合研究所
  • Year and Date: 2006-04-19
• [Presentation] Ab-initio Quantum Monte Carlo method on next generation supercomputer (2006)
  • Author(s): Ryo MAEZONO
  • Organizer: 2nd symposium; "Discovery, Synthesis and Emergence of Novel Knowledge through Computational Science"-Strategy of Computational Sciences and Next Generation
  • Place of Presentation: つくば国際会議場
  • Year and Date: 2006-04-04
• [Presentation] 前園涼 (2006)
  • Author(s): 量子拡散モンテカルロ法による電子状態計算
  • Organizer: 日本物理学会第61回年次大会
  • Place of Presentation: 松山大学
  • Year and Date: 2006-03-28
• [Presentation] The equation of state of diamond from quantum Monte Carlo calculations (2006)
  • Author(s): Ryo Maezono、A. Ma, N.D. Drummond, M.D. Towler, R.J. Needs.
  • Organizer: APS March Meeting 2006
  • Place of Presentation: メリーランド/アメリカ合衆国
  • Year and Date: 2006-03-16
• [Presentation] 第一原理量子拡散モンテカルロ法、分子科学計算を中心とした最近の進展 (2006)
  • Author(s): 前園涼
  • Organizer: スーパーコンピュータワークショップ2006超高速シミュレーターが切り開く分子科学の諸相 : 若手研究者による理論・方法論展開とその展望
  • Place of Presentation: 岡崎コンファレンスセンター
  • Year and Date: 2006-03-06
• [Presentation] First-principles study of solid mercury under high pressure (2006)
  • Author(s): M. Arai, K. Kobayasi, and T. Takemura
  • Organizer: International Conference on Quantum Simulators and Design
  • Place of Presentation: 広島大学
• [Presentation] The Role of the Coulomb Interactions in the Absolute Hardness (2006)
  • Author(s): 佐々木泰造、安原洋
  • Organizer: International Conference on Quantum Simulations and Design
  • Place of Presentation: 広島大学
• [Presentation] The Coulomb interactions and the chenmical hardness in ions (2006)
  • Author(s): 佐々木泰造、安原洋
  • Organizer: The 9th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: ソウル/大韓民国
• [Presentation] First-principles study of the transition metal nitrides (2006)
  • Author(s): Y. X. Wang, M. Arai, and T. Sasaki
  • Organizer: the 9th Asian Workshop
  • Place of Presentation: ソウル/大韓民国
• [Presentation] Biomolecular calculations using Ab Initio Quantum Monte Carlo technique combined with Fragment Molecular Orbital Method (2005)
  • Author(s): Ryo Maezono, Hirofumi Watanabe, Shigenori Tanaka
  • Organizer: PACIFICHEM 2005
  • Place of Presentation: ハワイ/アメリカ合衆国
  • Year and Date: 2005-12-19
• [Presentation] First-principles study of C6B2 and related compounds (2005)
  • Author(s): 小林一昭, 新井正男, 山本一雄
  • Organizer: International Workshop on Superconductivity (IWSDRM2005)
  • Place of Presentation: 物質・材料研究機構
  • Year and Date: 2005-12-08
• [Presentation] 量子拡散モンテカルロ法による固体周期系計算の現状 (2005)
  • Author(s): 前園涼
  • Organizer: A Workshop on Nation-wide Cooperative Research Projects in Research Institute of Electrical Communication (RIEC)
  • Place of Presentation: 東北大学
  • Year and Date: 2005-10-27
• [Presentation] MB2(0001)(M=Zr,Nb)表面のXPS内殻準位シフトの第1原理計算 (2005)
  • Author(s): 末原茂, 相澤俊, 菱田俊一, 大谷茂樹, 新井正男
  • Organizer: 日本セラミックス協会 第18回秋季シンポジウム
  • Place of Presentation: 大阪府立大学
  • Year and Date: 2005-09-28
• [Presentation] ハバードUの起源 (2005)
  • Author(s): 佐々木泰造、前園涼、安原洋
  • Organizer: 日本物理学会2005年秋季大会
  • Place of Presentation: 同志社大学
  • Year and Date: 2005-09-22
• [Presentation] MgB2の上部臨界磁場に対する不純物効果 (2005)
  • Author(s): 新井正男, 北孝文
  • Organizer: 日本物理学会2005年秋季大会
  • Place of Presentation: 同志社大学
  • Year and Date: 2005-09-22
• [Presentation] B系、C系超伝導体の第一原理電子状態計算 (2005)
  • Author(s): 小林一昭, 新井正男, 山本一雄
  • Organizer: 化合物新磁性材料研究会, 日本応用磁気学会専門研究会
  • Place of Presentation: 青山学院大学
  • Year and Date: 2005-06-15
• [Presentation] First-principles study of the (001) surface of cubic PbZrO3 and PbTiO3 (2005)
  • Author(s): Y. X. Wang, 新井正男, 佐々木泰造
  • Organizer: The 8th Asian Workshop on First-Principles Electronic Structure
  • Place of Presentation: 上海/中国
• [Presentation] Theoretical Study on Upper Critical Fields of MgB2 : ab-initio Fermi Surface and Impurity Scatterings (2005)
  • Author(s): 新井正男, 北孝文
  • Organizer: The 8th Asian Workshop on First-Principles Electronic Structures
  • Place of Presentation: 上海/中国
• [Presentation] First-principles study on the microscopic mechanism of the Al self-diffusion in corundum (2005)
  • Author(s): Yudong Liu, 佐々木泰造
  • Organizer: The 8th Asian Workshop on First-Principles Electronic Structure
  • Place of Presentation: 上海/中国
• [Presentation] Latticedynamics of C6B2 and related materials (2005)
  • Author(s): 小林一昭, 新井正男, 山本一雄
  • Organizer: 第18回国際超電導シンポジウム(ISS2005)
  • Place of Presentation: つくば国際会議場
• [Presentation] Surfaces properties of the cubic perovskites, PbZrO3, PbTiO3, and CaTiO3 (2005)
  • Author(s): Y. X. Wang, 新井正男, 佐々木泰造, C. L. Wang, W. L. Zhong
  • Organizer: American Chemical Society Meeting and Exposition
  • Place of Presentation: ワシントン/アメリカ合衆国
• [Presentation] Anisotropy of Upper Critical Fields from Fermi Surface Geometry (2005)
  • Author(s): 新井正男, 吉尾里司, 北孝文
  • Organizer: 24th International Conference on Low Temperature Physics
  • Place of Presentation: オーランド/アメリカ合衆国
• [Presentation] Doping of Fe to In2O3 (2005)
  • Author(s): 古曳重美, 堀恭子, 村川祐亮, 佐々木正邦, 下岡弘和, 田尻隆之, 出口博之, 奥正興, 宍戸統悦, 三留正則, 新井正男, 板東義雄
  • Organizer: ICMAT & IUMRS-ICAM 2005
  • Place of Presentation: シンガポール
• [Presentation] Bulk modulus of Os by experiments and first-principles calculations (2005)
  • Author(s): 竹村謙一, 新井正男, 小林一昭, 佐々木泰造
  • Organizer: AIRAPT-20
  • Place of Presentation: カールスルーエ/ドイツ連邦共和国
• [Remarks]
  • URL: http://homepage.mac.com/rmaezono/index.html
• [Remarks]
  • URL: http://www.tcm.phy.cam.ac.uk/%7Erm333/pub.html
• [Remarks]
  • URL: http://www.nims.go.jp/cmsc/fps2/indexJ.html
• [Remarks]
  • URL: http://www.nims.go.jp/cmsc/fps2/contentJ.html
• [Remarks]
  • URL: http://www.tcm.phy.cam.ac.uk/~rm333/pub.html