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Prediction and interpretation of physical properties from simulation data by induction approach

Research Project

Project/Area Number 26800203
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionYamanashi Eiwa College

Principal Investigator

Sugiyama Ayumu  山梨英和大学, 人間文化学部, 准教授 (20586606)

Research Collaborator Dam Hieu Chi  北陸先端科学技術大学院大学, 知識マネジメント領域, 准教授 (70397230)
Project Period (FY) 2014-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2016: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Keywordsデータマイニング / 第一原理計算 / マテリアルズインフォマティクス / 金属合金 / BNO / マテリアルズ・インフォマティクス / 物性予測
Outline of Final Research Achievements

The purpose of this research isI establishing a methodology for obtaining new physical knowledge from prediction of physical properties of metal alloys and interpretation of results by Materials Informatics using machine learning and data mining techniques. At first, physical property database is constructed from the first principle calculation of metal complex and binary metal alloy and known experimental data and classified by unsupervised learning by machine learning and data mining for each data group. We also interpreted the physical meaning from the classified data group and examined the semantics of each classified data group. In the data group classified as data group on the metal complex and the data group on the binary metal alloy covered in this research, classification by machine learning is the same as classification by known physical properties, and semantics of the conventional physical property knowledge are also indicated.

Report

(4 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • 2014 Research-status Report
  • Research Products

    (1 results)

All 2015

All Presentation (1 results) (of which Int'l Joint Research: 1 results)

  • [Presentation] Structural stability of bismuth-niobium-oxide films in solution process2015

    • Author(s)
      Ayumu Sugiyama, Tadaoki Mitani, Akira Goto, Hirokazu Shimauchi
    • Organizer
      THE INTERNATIONAL CHEMICAL CONGRESS OF PACIFIC BASIN SOCIETIES 2015
    • Place of Presentation
      Hawaii Convention Center
    • Year and Date
      2015-12-15
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research

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Published: 2014-04-04   Modified: 2018-03-22  

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