Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2013: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2012: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2011: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2010: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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Research Abstract |
Basic theory and computer simulation method for describing quantum transfer processes such as electron, proton, and excitation energy transfers in condensed matters including solution phases, molecular solids, and biological proteins. Application studies have been done on quantum Monte Carlo simulation of collective dielectric phase transitions in proton transferring molecular crystals, quantum wave packet simulation of hydrogen-bond exchange dynamics in water, long-distance electron transfer pathway analysis in proteins, and electron wave packet simulation of chemical bonding.
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