Simulation-based material design system using data mining
| Project/Area Number |
23500138
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Media informatics/Database
|
|---|
| Research Institution | Kanazawa Institute of Technology |
|---|
Principal Investigator |
HAYASHI Ryoko 金沢工業大学, 工学部, 講師 (30303332)
|
|---|
| Co-Investigator(Renkei-kenkyūsha) |
MIZUSEKI Hiroshi 東北大学, 金属材料研究所, 准教授 (00271966)
|
|---|
| Project Period (FY) |
2011 – 2013
|
| Project Status |
Completed (Fiscal Year 2013)
|
| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
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)
Fiscal Year 2011: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
|
|---|
| 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 / 材料設計 / 高性能計算 / 知識発見 / 統計処理 |
|---|
| 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.
|
Report
(4 results)
Research Products
(32 results)
