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Molecular level material design system based on fundamental IT technology

Research Project

Project/Area Number 19700103
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Media informatics/Database
Research InstitutionKanazawa Institute of Technology

Principal Investigator

HAYASHI Ryoko  Kanazawa Institute of Technology, 情報学部, 講師 (30303332)

Project Period (FY) 2007 – 2009
Project Status Completed (Fiscal Year 2009)
Budget Amount *help
¥3,800,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥600,000)
Fiscal Year 2009: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2008: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2007: ¥1,200,000 (Direct Cost: ¥1,200,000)
Keywords情報システム / 材料設計 / シミュレーション / モデル化 / タンパク質 / 免疫物質 / ナノテクノロジー / 高性能計算 / データ処理 / 可視化 / GA
Research Abstract

In the first year, I developed a prototype system for computational material design and executed fundamental performance evaluation about job scheduling. The prototype system uses master-slave model and one of the simple job scheduling method is master distribution of the jobs among slaves. The method may cause bottleneck so that I examined the performance. As the result of the performance evaluation, I realized the method would not cause bottleneck for the material design simulations. In the second and third years, I studied scFv capacitance evaluation simulation. As the result, simplified model for scFv molecules are realized so that preparation for scFv chip level simulation. The future work will be about exhaustive simulations for scFv capacitance evaluation on the material design system.

Report

(4 results)
  • 2009 Annual Research Report   Final Research Report ( PDF )
  • 2008 Annual Research Report
  • 2007 Annual Research Report
  • Research Products

    (8 results)

All 2009 2008 Other

All Journal Article (2 results) Presentation (5 results) Remarks (1 results)

  • [Journal Article] 没入型3次元VR体感システムCAVEにおける現在位置表示モジュールおよび簡易色指定モジュールを用いた可視化デモンストレーションマニュアル2008

    • Author(s)
      林亮子
    • Journal Title

      テクニカルメモランダム(北陸先端科学技術大学院大学付属図書館 情報科学研究科) IS-TM-2008-001

      Pages: 1-5

    • NAID

      110007613743

    • Related Report
      2009 Final Research Report
  • [Journal Article] 没入型3次元VR体感システムCAVEにおける現在位置表示モジュールおよび筒易色指定モジュールを用いた可視化デモンストレーションマニュアル2008

    • Author(s)
      林 亮子
    • Journal Title

      北陸先端科学技術大学院大学付属図書館 情報科学研究科 テクニカルメモランダム IS-TM-2008-001

      Pages: 1-5

    • Related Report
      2007 Annual Research Report
  • [Presentation] Capacitance Change Estimation for an Immunosensor Chip2009

    • Author(s)
      Ryoko Hayashi, Vijay K. Jain
    • Organizer
      IEEEInternational SOC Conference
    • Place of Presentation
      Wellington Park Hotel, Belfast, Northern Ireland, UK.
    • Year and Date
      2009-09-10
    • Related Report
      2009 Final Research Report
  • [Presentation] Capacitance Change Estimation for an Immunosensor Chip2009

    • Author(s)
      Ryoko Hayashi
    • Organizer
      IEEE International SOC Conference
    • Place of Presentation
      Wellington Park Hotel, Belfast, Northern Ireland, UK
    • Year and Date
      2009-09-10
    • Related Report
      2009 Annual Research Report
  • [Presentation] A test model of capacitance prediction for binding scFv and antigen2009

    • Author(s)
      Ryoko Hayashi, Vijay K. Jain
    • Organizer
      2009年ハイパフォーマンスコンピューティングと計算科学シンポジウムHPCS 2009
    • Place of Presentation
      東京都, 東京大学武田先端知ビル武田ホール
    • Year and Date
      2009-01-22
    • Related Report
      2009 Final Research Report
  • [Presentation] A test model of capacitance prediction for binding scFv and antigen2009

    • Author(s)
      Ryoko Hayashi
    • Organizer
      2009年ハイパフォーマンスコンピューティングと計算科学シンポジウムHPCS 2009
    • Place of Presentation
      東京大学
    • Year and Date
      2009-01-22
    • Related Report
      2008 Annual Research Report
  • [Presentation] Design of Nanoscale materials for Molecular Devices by First Principles and Genetic Algorithm Approaches2008

    • Author(s)
      H. Mizuseki, N. Igarashi, R. Hayashi, R. V. Belosludov, S.-U. Lee and Y. Kawazoe
    • Organizer
      The 19th International Conference on Molecular Electronics and Devices
    • Place of Presentation
      Ajou University, Suwon, Korea
    • Related Report
      2007 Annual Research Report
  • [Remarks]

    • URL

      http://www.jaist.ac.jp/library/search/researchdb/tec.html

    • Related Report
      2007 Annual Research Report

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Published: 2007-04-01   Modified: 2016-04-21  

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