| Budget Amount *help |
¥96,590,000 (Direct Cost: ¥74,300,000、Indirect Cost: ¥22,290,000)
Fiscal Year 2014: ¥14,950,000 (Direct Cost: ¥11,500,000、Indirect Cost: ¥3,450,000)
Fiscal Year 2013: ¥26,130,000 (Direct Cost: ¥20,100,000、Indirect Cost: ¥6,030,000)
Fiscal Year 2012: ¥27,560,000 (Direct Cost: ¥21,200,000、Indirect Cost: ¥6,360,000)
Fiscal Year 2011: ¥23,270,000 (Direct Cost: ¥17,900,000、Indirect Cost: ¥5,370,000)
Fiscal Year 2010: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
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| Outline of Final Research Achievements |
The main purpose of this project is to develop the density-functional approach which enables us to perform more accurate and larger scale static and dynamical calculations on massively parallel architecture computers, to clarify underlying physics and chemistry in phenomena in nano-materials and structures. We have adopted a real-space scheme as a principal methodology to solve the Euler equation in the density-functional theory (DFT). Thorough the computations using these calculation schemes on the K computer at Kobe, Japan and also on other multi-core parallel architecture computers, We have clarified and predicted various properties in nano-materials and structures. In particular, ACM Gordon Bell Prize in 2011 was awarded to our real-space DFT calculations for silicon nanowires consisting of more than 100,000 atoms. The obtained results in this project are disseminated as 101 papers in scientific journals and presented in 31 invited talks of major international conferences.
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