| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2013: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2012: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2011: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2010: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
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| Research Abstract |
In this project, ab initio path integral simulation has been established, in which nuclear fluctuation due to quantum and thermal effects is taken into account exactly. This method is used to study theoretically the chemical nature of various hydrogen-bonded systems such as aqueous solutions and nuclear base pairs, as well as their deuterated species. In 2010, Distinguished Young Scientist of Japan Society for Molecular Science and Academic Award of The Molecular Simulation Society of Japan, were awarded to this achievement.
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