| Budget Amount *help |
¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Fiscal Year 2014: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Fiscal Year 2013: ¥5,720,000 (Direct Cost: ¥4,400,000、Indirect Cost: ¥1,320,000)
Fiscal Year 2012: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
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| Outline of Final Research Achievements |
In order to develop novel manufacturing technologies which promote more effective use of rare-earth elements essential to various core industries of our country, it is necessary to understand the fundamental roles of rare-earth elements theoretically at the electronic and atomic level. In the present study, the world's first ultra-accelerated large-scale quantum dynamics simulation method oriented to a theoretical design of rare-earth containing materials has been successfully constructed by improving the convergence of the electronic state calculation of rare-earth elements about the originally-developed ultra-accelerated quantum chemical molecular dynamics simulator.
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