| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2015: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2014: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2013: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
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| Outline of Final Research Achievements |
Usually, quantum-mechanical calculations with heavy resources are necessary for the simulation of the chemical reactions even if for a small molecule. In this study, we expressed quantity of molecules and each of the energy of molecules with statistical distributions, and proposed a method by Monte Carlo simlation as the substitute for the quantum-mechanical based. We implemented our method partly used standard C++ language. Our method is not suitable for the reactions depends on the molecular structures in many of high polymers, but can get the most suitable result by the adjusted accuracy of the computer ability. We are now preparing to be able to use the program widely.
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