2013 Fiscal Year Final Research Report
Simulation-based material design system using data mining
| Project/Area Number |
23500138
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Media informatics/Database
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| Research Institution | Kanazawa Institute of Technology |
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Principal Investigator |
HAYASHI Ryoko 金沢工業大学, 工学部, 講師 (30303332)
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| Co-Investigator(Renkei-kenkyūsha) |
MIZUSEKI Hiroshi 東北大学, 金属材料研究所, 准教授 (00271966)
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| Project Period (FY) |
2011 – 2013
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| Keywords | データマイニング / ナノテクノロジー / 分子 / シミュレーション |
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| Research Abstract |
Recently, GPGPU or multi-core computers are very familiar as the small-scale of middle-scale computing environment. Many package programs for computational chemistry and computational physics are also full-grown. On the other hand, a result of such package programs is the mass of numerical data so that we require auto-processing of the data for utilizing many computational results. This theme examined a fundamental performance evaluation in order to discuss suitable system size. Furthermore, this theme tried classifying molecular structure in a computational result via data mining technology. As the result, we found that we can run massively many computational jobs for less than ten carbon atoms. Moreover, auto-classification for molecular structure can find out as the same rule as the human do it.
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