| Budget Amount *help |
¥131,300,000 (Direct Cost: ¥101,000,000、Indirect Cost: ¥30,300,000)
Fiscal Year 2023: ¥26,520,000 (Direct Cost: ¥20,400,000、Indirect Cost: ¥6,120,000)
Fiscal Year 2022: ¥23,140,000 (Direct Cost: ¥17,800,000、Indirect Cost: ¥5,340,000)
Fiscal Year 2021: ¥28,860,000 (Direct Cost: ¥22,200,000、Indirect Cost: ¥6,660,000)
Fiscal Year 2020: ¥27,560,000 (Direct Cost: ¥21,200,000、Indirect Cost: ¥6,360,000)
Fiscal Year 2019: ¥25,220,000 (Direct Cost: ¥19,400,000、Indirect Cost: ¥5,820,000)
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| Outline of Final Research Achievements |
Many of the aquatic functional materials self-organize (liquid crystallization, host-guest reactions, etc.) to form ordered structures. The material molecule side is induced by the strong polarizability of the water molecules, and rearrangement (polarization) of partial charges peculiar to the condensed phase occurs. By proposing and utilizing a multiphysics method to precisely determine this partial charge using quantum chemistry, we succeeded in predicting the structure of ionic liquid crystal films and analyzing the state of water in materials, for example. Furthermore, we proposed a scheme that enables direct comparison with spectroscopic data, such as the determination of infrared absorption spectra of water molecules in biocompatible polymers, which could previously only be compared with small molecule solutions.
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