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Innovative design of electronics material based on identifying and preserving mathematical structures

Research Project

Project/Area Number 16KT0016
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeMulti-year Fund
Section特設分野
Research Field Mathematical Sciences in Search of New Cooperation
Research InstitutionThe University of Tokyo

Principal Investigator

Matsuo Takayasu  東京大学, 大学院情報理工学系研究科, 教授 (90293670)

Co-Investigator(Kenkyū-buntansha) 山本 有作  電気通信大学, 大学院情報理工学研究科, 教授 (20362288)
多田 朋史  東京工業大学, 元素戦略研究センター, 准教授 (40376512)
宮武 勇登  大阪大学, サイバーメディアセンター, 准教授 (60757384)
星 健夫  鳥取大学, 工学研究科, 准教授 (80272384)
Project Period (FY) 2016-07-19 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥17,810,000 (Direct Cost: ¥13,700,000、Indirect Cost: ¥4,110,000)
Fiscal Year 2018: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2017: ¥6,630,000 (Direct Cost: ¥5,100,000、Indirect Cost: ¥1,530,000)
Fiscal Year 2016: ¥6,500,000 (Direct Cost: ¥5,000,000、Indirect Cost: ¥1,500,000)
Keywords数値解析 / 計算科学 / 量子ダイナミクス / 有機エレクトロニクス / 構造保存解法 / シミュレーション / 電子状態計算 / 数値計算 / 数理工学 / 物性
Outline of Final Research Achievements

In this research, we aimed at developing a new designing framework of innovative electronics material for which conventional designing approach has become too expensive due to the rapid increase of the complexity and size of target designs. The main idea there was to establish a unified approach where the physics, the mathematical model, and its numerical computation were demanded to be consistent in terms of a certain mathematical structure. As outcomes of this research, we have developed several important supporting new techniques, such that new structure-preserving model reduction techniques, new fast iterative solvers for electronics dynamics computations. Then we considered some electronics dynamics computations by efficient, energy-conserving parallel numerical methods, which confirmed the validity of the concept of the unified approach in that it actually enables efficient, stable computation.

Academic Significance and Societal Importance of the Research Achievements

計算科学を援用するあらゆる現代科学・工学の場面で,問題の複雑化・巨大化に起因する計算複雑性・困難性の障害が顕在化している.従前は,高性能計算機の単調な性能向上によりその困難は先送りされたが,ムーアの法則の終焉が現実的問題となりつつある現在,数値シミュレーションには根本的な変化をもたらす必要がある.本研究は,数理科学的アプローチからこの困難を打開する一つの試みであり,エレクトロニクス材料設計のための量子ダイナミクス計算を例題にとり,従前よりも積極的に数理構造の一貫性を求めることで新しい数値計算体系を構築できることを示した.この理念は広く計算科学全体で有用である可能性があり波及効果が期待される.

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (77 results)

All 2019 2018 2017 2016

All Journal Article (17 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 17 results,  Open Access: 6 results,  Acknowledgement Compliant: 1 results) Presentation (60 results) (of which Int'l Joint Research: 29 results,  Invited: 15 results)

  • [Journal Article] On using the shifted minimal residual method for quantum-mechanical wave packet simulation2019

    • Author(s)
      Hiroaki Seito・Takeo Hoshi・Yusaku Yamamoto
    • Journal Title

      JSIAM Letters

      Volume: 11 Issue: 0 Pages: 13-16

    • DOI

      10.14495/jsiaml.11.13

    • NAID

      130007607760

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 荻田・相島の固有ベクトル反復改良法に基づく実対称行列の固有値分解追跡手法2019

    • Author(s)
      白間久瑠美・工藤周平・山本有作
    • Journal Title

      日本応用数理学会論文誌

      Volume: 29 Pages: 78-120

    • NAID

      130007618979

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Thousand-atom ab initio calculations of excited states at organic/organic interfaces: toward first-principles investigations of charge photogeneration2019

    • Author(s)
      Takatoshi Fujita, MD Khorshed Alam, and Takeo Hoshi
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 41 Pages: 26443-26452

    • DOI

      10.1039/c8cp05574b

    • NAID

      120006895832

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Extension of an error analysis of the randomized Kaczmarz method for inconsistent linear systems2018

    • Author(s)
      Yushi Morijiri, Kensuke Aishima, and Takayasu Matsuo
    • Journal Title

      JSIAM Letters

      Volume: 10 Issue: 0 Pages: 17-20

    • DOI

      10.14495/jsiaml.10.17

    • NAID

      130007404199

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Asymptotic Quadratic Convergence of the Parallel Block-Jacobi EVD Algorithm with Dynamic Ordering for Hermitian Matrices2018

    • Author(s)
      Gabriel Oksa・Yusaku Yamamoto・Martin Becka・Marian Vajtersic
    • Journal Title

      BIT Numerical Mathematics

      Volume: 58 Issue: 4 Pages: 1099-1123

    • DOI

      10.1007/s10543-018-0711-3

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Performance of the parallel block Jacobi method with dynamic ordering for the symmetric eigenvalue problem2018

    • Author(s)
      Shuhei Kudo, Kousuke Yasuda and Yusaku Yamamoto
    • Journal Title

      JSIAM Letters

      Volume: 10 Issue: 0 Pages: 41-44

    • DOI

      10.14495/jsiaml.10.41

    • NAID

      130007432998

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Solution of the k -th eigenvalue problem in large-scale electronic structure calculations2018

    • Author(s)
      Lee Dongjin、Hoshi Takeo、Sogabe Tomohiro、Miyatake Yuto、Zhang Shao-Liang
    • Journal Title

      Journal of Computational Physics

      Volume: 371 Pages: 618-632

    • DOI

      10.1016/j.jcp.2018.06.002

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Wave-packet multi-scale simulations based on a non-linear tight-binding Hamiltonian for carrier transport in π-conjugated polymers2018

    • Author(s)
      Tomofumi Tada
    • Journal Title

      Materials Chemistry Frontiers

      Volume: 印刷中 Issue: 7 Pages: 1351-1359

    • DOI

      10.1039/c7qm00591a

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Solution of a Nonlinear Eigenvalue Problem Using Signed Singular Values2018

    • Author(s)
      Ooi Kouhei、Mizuno Yoshinori、Sogabe Tomohiro、Yamamoto Yusaku、Zhang Shao-Liang
    • Journal Title

      East Asian J. Appl. Math.

      Volume: 7 Issue: 4 Pages: 799-809

    • DOI

      10.4208/eajam.181016.300517c

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] On a relationship between the T-congruence Sylvester equation and the Lyapunov equation2018

    • Author(s)
      Oozawa Masaya、Sogabe Tomohiro、Miyatake Yuto、Zhang Shao-Liang
    • Journal Title

      Journal of Computational and Applied Mathematics

      Volume: 329 Pages: 51-56

    • DOI

      10.1016/j.cam.2017.05.044

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Some Discrete Inequalities for Central-Difference Type Operators2017

    • Author(s)
      Hiroki Kojima, Takayasu Matsuo and Daisuke Furihata
    • Journal Title

      Mathematics of Computation

      Volume: 86 Issue: 306 Pages: 1719-1739

    • DOI

      10.1090/mcom/3154

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] On the optimality and sharpness of Laguerre's lower bound on the smallest eigenvalue of a symmetric positive definite matrix2017

    • Author(s)
      Yusaku Yamamoto
    • Journal Title

      Appl. Math.

      Volume: 62 Issue: 4 Pages: 319-331

    • DOI

      10.21136/am.2017.0022-17

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] The danger of combining block red?black ordering with modified incomplete factorizations and its remedy by perturbation or relaxation2017

    • Author(s)
      Shioya Akemi、Yamamoto Yusaku
    • Journal Title

      Japan J. Indust. Appl. Math.

      Volume: 35 Issue: 1 Pages: 195-216

    • DOI

      10.1007/s13160-017-0277-5

    • NAID

      210000166851

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] On using the Cholesky QR method in the full-blocked one-sided Jacobi algorithm2017

    • Author(s)
      Shuhei Kudo and Yusaku Yamamoto
    • Journal Title

      Lecture Notes in Compu. Sci.

      Volume: 10777 Pages: 612-622

    • DOI

      10.1007/978-3-319-78024-5_53

    • ISBN
      9783319780238, 9783319780245
    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Geometric numerical integrators for Hunter-Saxton-like equations2017

    • Author(s)
      Miyatake Yuto、Cohen David、Furihata Daisuke、Matsuo Takayasu
    • Journal Title

      Japan Journal of Industrial and Applied Mathematics

      Volume: 34 Issue: 2 Pages: 441-472

    • DOI

      10.1007/s13160-017-0252-1

    • NAID

      210000160223

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] The Discrete Gradient Method for Differential Equations Can Be a Generator of Linear Solvers2017

    • Author(s)
      宮武 勇登、曽我部 知広、張 紹良
    • Journal Title

      Transactions of the Japan Society for Industrial and Applied Mathematics

      Volume: 27 Issue: 3 Pages: 239-249

    • DOI

      10.11540/jsiamt.27.3_239

    • NAID

      130006100066

    • ISSN
      2424-0982
    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] A novel discrete variational derivative method using ``average-difference methods''2016

    • Author(s)
      D. Furihata, S. Sato, T. Matsuo
    • Journal Title

      JSIAM Letters

      Volume: 8 Issue: 0 Pages: 81-84

    • DOI

      10.14495/jsiaml.8.81

    • NAID

      130005434752

    • ISSN
      1883-0609, 1883-0617
    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] 散逸型微分方程式の構造保存モデル縮減2019

    • Author(s)
      稲場俊弥・松尾宇泰
    • Organizer
      日本応用数理学会2019年研究部会連合発表会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 高次非線形性を持つ微分方程式に対する安定な陰的線形スキームの構築2019

    • Author(s)
      高橋俊太・松尾宇泰
    • Organizer
      日本応用数理学会2019年研究部会連合発表会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Reducing the effect of discretization errors in estimating ODE models by iteratively reweighted least squares2019

    • Author(s)
      Takeru Matsuda・Yuto Miyatake
    • Organizer
      ANZIAM 2019
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Estimating ODE models by iteratively reweighted least squares2019

    • Author(s)
      Takeru Matsuda・Yuto Miyatake
    • Organizer
      A3 Workshop on fluid dynamics and related topics
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Novel linear algebraic solvers for massively parallel quantum material simulations2019

    • Author(s)
      Takeo Hoshi
    • Organizer
      International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics (RIKEN-CCS, Kobe)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical studies on a single molecular spin contact for quantum information processing2019

    • Author(s)
      Tomofumi Tada
    • Organizer
      Nature conference
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] エネルギー保存型並列解法MB4に基づく2次元量子ダイナミクス計算2018

    • Author(s)
      酒井翼・藤周平・井町宏人・宮武勇登・星健夫・山本有作
    • Organizer
      第47回数値解析シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] Application of an Energy-preserving Integrator to Quantum-mechanical Wavepacket Dynamics2018

    • Author(s)
      Yusaku Yamamoto・Tsubasa Sakai・Shuhei Kudo・Hiroto Imachi・Yuto Miyatake・Takeo Hoshi
    • Organizer
      13th SIAM East Asian Section Conference 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 荻田・相島の固有ベクトル反復改良法における重複固有値の扱いについて2018

    • Author(s)
      白間久瑠美・工藤周平・山本有作
    • Organizer
      応用数理学会2018年度年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Orthogonalization Algorithms and Dense Symmetric Eigenvalue Solvers Optimized for Strong Scaling2018

    • Author(s)
      Yusaku Yamamoto
    • Organizer
      International Symposium on Research and Education of Computational Science (RECS2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 荻田・相島の固有ベクトル反復改良法に基づく実対称行列の固有値分解追跡手法2018

    • Author(s)
      山本有作
    • Organizer
      RIMS共同研究(公開型)「次世代の科学技術を支える数値解析学の基盤整備と応用展開」
    • Related Report
      2018 Annual Research Report
  • [Presentation] ウルフ条件を利用した適応型SOR法2018

    • Author(s)
      宮武勇登・曽我部知広・張紹良
    • Organizer
      第47回数値解析シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] 保存量を持つ常微分方程式に対するモデル縮減について2018

    • Author(s)
      宮武勇登
    • Organizer
      常微分方程式の数値解法とその周辺2018
    • Related Report
      2018 Annual Research Report
  • [Presentation] Energy-preserving model reduction for Poisson systems2018

    • Author(s)
      Yuto Miyatake
    • Organizer
      13th SIAM East Asian Section Conference 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Structure-preserving model reduction for initial value problems with a first integral2018

    • Author(s)
      Yuto Miyatake
    • Organizer
      CJK2018 Joint Conference on Numerical Mathematics
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 常微分方程式の初期値推定における離散化誤差に由来するバイアスの軽減に向けて2018

    • Author(s)
      松田孟留・宮武勇登
    • Organizer
      RIMS共同研究(公開型)「次世代の科学技術を支える数値解析学の基盤整備と応用展開」
    • Related Report
      2018 Annual Research Report
  • [Presentation] 有機半導体材料における大規模量子計算とデータ駆動科学の融合2018

    • Author(s)
      星健夫
    • Organizer
      スーパーコンピューティング技術産業応用協議会セミナー「材料・化学分野における将来のシミュレーション技術の展望」
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] HPC challenge in material science2018

    • Author(s)
      Takeo Hoshi
    • Organizer
      International HPC Summer School 2018 (Ostrava, Czech Republic)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Organic device material research by the combination of large-scale massively-parallel electronic state calculation and data-driven scienc2018

    • Author(s)
      Takeo Hoshi
    • Organizer
      International Symposium on Materials Genome Towards Exascale (Spetses, Greece)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Towards reliable numerical methods for quantum material simulation on supercomputers2018

    • Author(s)
      Takeo Hoshi
    • Organizer
      The 18th International Symposium on Scientific Computing, Computer Arithmetic, and Verified Numerical Computations (SCAN18)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical study on electron transport through organometallic molecular wires2018

    • Author(s)
      Tomofumi Tada
    • Organizer
      International Conference on Coordination Chemistry 2018 (ICCC2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 南部括弧に基づく構造保存数値解法に関する一考察2018

    • Author(s)
      杉渕 優也, 松尾 宇泰, 佐藤 峻
    • Organizer
      日本応用数理学会2018年研究部会連合発表会
    • Related Report
      2017 Research-status Report
  • [Presentation] 散逸型微分方程式に対する各種モデル縮減手法の検討2018

    • Author(s)
      柳澤 広大, 松尾 宇泰
    • Organizer
      日本応用数理学会2018年研究部会連合発表会
    • Related Report
      2017 Research-status Report
  • [Presentation] Toward Modern Scientific Computations Based on Structure-Preserving Methods2018

    • Author(s)
      T. Matsuo and Y. Miyatake
    • Organizer
      SIAM PP 2018
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Structure-preserving continuous stage Runge-Kutta methods2018

    • Author(s)
      Y. Miyatake
    • Organizer
      A3 Workshop on Fluid Dynamics and Material Science
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Finite difference schemes preserving multiple invariants for evolutionary partial differential equations2018

    • Author(s)
      D. I. McLaren, Y. Miyatake, G. R. W. Quispel
    • Organizer
      SciCADE2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] On the equivalence between the SOR-type methods and the Itoh_Abe discrete gradient methods2018

    • Author(s)
      Y. Miyatake, T. Sogabe, S.-L. Zhang
    • Organizer
      EASIAM2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Block Red-Black Milu(0) Preconditioner with Relaxation on GPU2018

    • Author(s)
      Akemi Shioya and Yusaku Yamamoto
    • Organizer
      SIAM PP'18
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 100-nano-meter-scale electronic structure calculation for organic device materials2018

    • Author(s)
      Takeo Hoshi
    • Organizer
      Symposium ' Large-scale Electronic Structure Calculations', 18th SIAM Conference on Parallel Processing for Scientific Computing (SIAM-PP18), 7-10, Mar. 2018
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Eigenvalue computation and related numerical methods for large-scale quantum material simulations2018

    • Author(s)
      Takeo Hoshi
    • Organizer
      International Workshop on Eigenvalue Problems: Algorithms; Software and Applications, in Petascale Computing (EPASA2018), 5-6, Mar. 2018
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] (研究会企画)2018

    • Author(s)
      Stef Graillat, Takeshi Ogita, Takeo Hoshi
    • Organizer
      Symposium 'Reliable numerical computations in HPC environments', 18th SIAM Conference on Parallel Processing for Scientific Computing (SIAM-PP18), 7-10, Mar. 2018
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 偏微分方程式のアジョイント法における離散化2017

    • Author(s)
      田中智規, 松尾宇泰, 伊藤伸一, 長尾大道
    • Organizer
      日本応用数理学会第13回研究部会連合発表会
    • Place of Presentation
      電気通信大学(東京都調布市)
    • Year and Date
      2017-03-06
    • Related Report
      2016 Research-status Report
  • [Presentation] 行列補完に対する部分空間法の拡張について2017

    • Author(s)
      小林勇也, 相島健助, 松尾宇泰
    • Organizer
      日本応用数理学会第13回研究部会連合発表会
    • Place of Presentation
      電気通信大学(東京都調布市)
    • Year and Date
      2017-03-06
    • Related Report
      2016 Research-status Report
  • [Presentation] 最小二乗問題に対するRandomized Extended Kczmarz法の拡張について2017

    • Author(s)
      森尻祐史, 相島健助, 松尾宇泰
    • Organizer
      日本応用数理学会第13回研究部会連合発表会
    • Place of Presentation
      電気通信大学(東京都調布市)
    • Year and Date
      2017-03-06
    • Related Report
      2016 Research-status Report
  • [Presentation] 物理系のシミュレーションにおける構造保存数値解法について2017

    • Author(s)
      松尾宇泰
    • Organizer
      核融合研MHD研究会
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] On spatial discretization of evolutionary differential equations on the periodic domain with a mixed derivative2017

    • Author(s)
      S. Sato and T. Matsuo
    • Organizer
      SciCADE2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Some structure-preserving discretizations of generalized Ostrovsky equation2017

    • Author(s)
      T. Matsuo
    • Organizer
      SciCADE2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 混合微分を含む発展方程式の空間離散化について2017

    • Author(s)
      佐藤峻, 松尾宇泰
    • Organizer
      日本応用数理学会2017年度年会
    • Related Report
      2017 Research-status Report
  • [Presentation] ハイブリッド不連続ガレルキン法に基づく構造保存数値解法2017

    • Author(s)
      坪井俊憲, 松尾宇泰
    • Organizer
      日本応用数理学会2017年度年会
    • Related Report
      2017 Research-status Report
  • [Presentation] On some finite-difference based structure-preserving methods for partial differential equations2017

    • Author(s)
      T. Matsuo
    • Organizer
      EASIAM 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Iterative solvers based on the discrete gradient method for symmetric positive definite linear systems2017

    • Author(s)
      Y. Miyatake, T. Sogabe, S.-L. Zhang
    • Organizer
      19h International Conference on Finite Elements in Flow Problems - FEF 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 波動方程式に対するモデル縮減手法を組み込んだ確率的数値解法について2017

    • Author(s)
      宮武勇登
    • Organizer
      日本応用数理学会2017年度年会
    • Related Report
      2017 Research-status Report
  • [Presentation] SOR法の緩和パラメータの幾何学的解釈2017

    • Author(s)
      宮武勇登, 曽我部知広, 張紹良
    • Organizer
      日本応用数理学会 第14回 研究部会連合発表会
    • Related Report
      2017 Research-status Report
  • [Presentation] 発展方程式に対する構造保存数値解法の考え方について2017

    • Author(s)
      宮武勇登
    • Organizer
      ダイナミクス研究会中野
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] Roundoff error analysis of the CholeskyQR2 and related algorithms2017

    • Author(s)
      Yusaku Yamamoto
    • Organizer
      PARNUM2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] ブロック赤-黒順序付けされた摂動/緩和MILU(0)前処理法のGPUとマルチコアCPUにおける性能評価2017

    • Author(s)
      塩谷明美,山本有作
    • Organizer
      SWoPP 2017
    • Related Report
      2017 Research-status Report
  • [Presentation] On using the Cholesky QR method in the full-blocked one-sided Jacobi algorithm2017

    • Author(s)
      Shuhei Kudo and Yusaku Yamamoto
    • Organizer
      PPAM2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 虚数シフトを行った実対称行列のための COCG法と一般化MINRES法の性能比較2017

    • Author(s)
      清藤 博暉, 山本 有作
    • 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24回研究会
    • Related Report
      2017 Research-status Report
  • [Presentation] 基盤的超並列計算アルゴリズムの開発(ポスター)2017

    • Author(s)
      星健夫, 山本有作, 須田礼仁, 中島研吾, 松尾宇泰, 中野愛一郎
    • Organizer
      第2回CDMSI(ポスト「京」重点課題(7))研究会
    • Related Report
      2017 Research-status Report
  • [Presentation] 大規模量子MDとデータ科学による有機デバイス材料研究2017

    • Author(s)
      星健夫
    • Organizer
      薬物‐標的親和性計算の新潮流 ~古典MDから量子MDへ~情報計算化学生物学会
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] 大規模電子状態計算と機械学習の融合による有機材料研究2017

    • Author(s)
      星健夫
    • Organizer
      日本物理学会,岩手大学; 領域9,領域11合同シンポジウム 「理論による表面・界面・ナノ構造の微視的構造と物性の予測:現状と展望」
    • Related Report
      2017 Research-status Report
  • [Presentation] Opening: development of next-generation quantum material research platform2017

    • Author(s)
      Takeo Hoshi
    • Organizer
      International Workshop 'Development of next-generation quantum material research platform' (Next QUMAT2017), U. Tokyo, 4. Dec. 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] (研究会企画)2017

    • Author(s)
      Takeo Hoshi, Aiichiro Nakano, Junichi Iwata, Kengo Nakajima
    • Organizer
      International Workshop 'Development of next-generation quantum material research platform' (Next QUMAT2017), U. Tokyo, 4. Dec. 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] (受賞講演)HPCI利用研究平成28年度優秀成果賞「100ナノ電子状態計算とデータ科学による有機デバイス材料研究」2017

    • Author(s)
      星健夫
    • Organizer
      第4回「京」を中核とするHPCIシステム利用研究課題 成果報告会, 2017年11月2日, 東京
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] 100ナノメートルスケール電子状態計算とデータ科学による有機材料研究2017

    • Author(s)
      星健夫
    • Organizer
      有機エレクトロニクス研究センター講演会, 2017年10月18日, 山形大学
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] Extremely large quantum material simulations with novel linear algebraic algorithms and massively parallel supercomputers2017

    • Author(s)
      Takeo Hoshi
    • Organizer
      Computing bulks of inner eigenpairs of large sparse matrices: from application and algorithms to performance and software
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 数理構造保存型解法の計算物質科学への展開2016

    • Author(s)
      工藤周平, 井町宏人, 宮武勇登, 山本有作, 星健夫
    • Organizer
      第2回CDMSI(ポスト「京」重点課題(7))シンポジウム ~次世代の産業を支える新機能デバイス・高性能材料の創成~
    • Place of Presentation
      東京大学(千葉県柏市)
    • Year and Date
      2016-12-06
    • Related Report
      2016 Research-status Report
  • [Presentation] Some recent and open issues on finite-difference based structure-preserving methods2016

    • Author(s)
      日本応用数理学会第13回研究部会連合発表会
    • Organizer
      Geometric Numerical Integration and Its Applications
    • Place of Presentation
      オーストラリア・ビクトリア州
    • Year and Date
      2016-12-05
    • Related Report
      2016 Research-status Report
  • [Presentation] Structure-preserving Galerkin methods based on variational structure2016

    • Author(s)
      Y. Miyatake
    • Organizer
      Geometric Numerical Integration and Its Applications
    • Place of Presentation
      オーストラリア・ビクトリア州
    • Year and Date
      2016-12-05
    • Related Report
      2016 Research-status Report
    • Invited
  • [Presentation] モデル縮減に基づく数値計算法2016

    • Author(s)
      松尾宇泰
    • Organizer
      計算科学における時空間アップスケーリングと数理手法
    • Place of Presentation
      電気通信大学(東京都調布市)
    • Related Report
      2016 Research-status Report

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Published: 2016-07-20   Modified: 2023-03-08  

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