Time series analysis to extract the essence of the polyatomic dynamics
| Project/Area Number |
24750002
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Physical chemistry
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| Research Institution | Shizuoka University (2013-2014)
Hokkaido University (2012) |
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Principal Investigator |
KAWAI Shinnosuke 静岡大学, 理学(系)研究科(研究院), 准教授 (90624065)
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| Project Period (FY) |
2012-04-01 – 2015-03-31
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2013: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2012: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
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| Keywords | 動力学 / 凝縮相 / データ解析 / 熱的環境 / エネルギー地形 / 相互作用 / ダイナミクス / 運動モード / 次元低減 / 分子動力学 / 一般化ランジュバン方程式 / 化学反応ダイナミクス / 実効自由度 / 熱ゆらぎ / 実効的な次元 / 生体分子 |
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| Outline of Final Research Achievements |
Many phenomena in chemistry and biology consists of various interactions among a huge number of atoms. In the time evolution of such systems, often not all of the atomic coordinates are equally important, but it is expected that there are a relatively small number of quantities that represent the system and describe its essential part. The present study has developed the fundamental concept of such representative variables, the method to extract them from a given data series, and the basic principles that determine their time evolution.
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Report
(4 results)
Research Products
(31 results)
