Kyushu University Academic Staff Educational and Research Activities Database
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Yuriko Aoki Last modified date:2017.09.15

Graduate School
Undergraduate School
Administration Post

Academic Degree
Doctor of Science
Field of Specialization
Quantum Chemistry
Research Interests
  • Highly accurate Order(N) computational method for gigantic systems and material design for nano-bio systems
    keyword : Quantum chemistry, electronic states, MO method, gigantic systems, polymers,Elongation method
Current and Past Project
  • The conventional quantum chemical approach based on the molecular orbital method is difficult to apply to large systems like biopolymers, though it is useful for small molecules. We are developing the Elongation method that makes it possible to obtain the electronic states of large aperiodic polymers, treating only a few units at a time of the total system. This study develops the construction of molecular design integrated system of functional polymers and the relation software by combining the quantum-chemical method for obtaining physical properties with the efficient Elongation method. This software can assist with the molecular design of functional polymers, and drastic cost reduction of material synthesis can be expected.
Academic Activities
Works, Software and Database
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  • for outstanding research in quantum chemistry