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Michio Katouda

  • Ph. D.
  • Research Fellow
  • Research Organization for Information Science and Technology
  • 10h-indexImpact measure calculated using publication and citation counts. Updated daily.
  • 313CitationsNumber of citations received by Michio's publications. Updated daily.

Research interests

Heterogeneous CatalysisSurface ScienceParallel Computing of Quantum ChemistryCrystalline Orbital Theory for Periodic Extended SystemsElectron Correlation TheoryComputational ChemistryElectronic Structure TheoryQuantum Chemistry

About

Michio Katouda is a researcher of quantum chemistry. He received his Ph. D degree from Waseda University for the study of "Development of efficient computational methods for many-body perturbation calculations of extended systems". His research interests are the development of efficient theories and computational techniques for quantum chemical calculations on massively parallel supercomputers such as Japan's K computer. His research activities are development of efficient theories, computation techniques, massively parallel algorithms, and software of second order Møller–Plesset perturbation theory for large molecules and extended systems. He is an active developer of NTChem massively parallel quantum chemistry software. He is a developer of massively parallel RI-MP2 code in NTChem software and GAMESS-US software. He is also performing research projects about elucidation and design of organic molecular materials such as organic photovoltaics, organic semiconductors, and organic soft macromolecules by the theoretical and computational approach such as the quantum chemistry calculation, the first-principle electronic structure calculation, and the classical molecular dynamics simulation. He is now interested in the material informatics, the chemoinfomatics, and the machine larning to explore new functional molecular materials.

Co-authors (59)

Publications (5)

  • Relative stability between the manganese hydroxide- and oxo-models for water oxidation by CCSD, DMRG CASCI, CASSCF, CASPT2 and CASDFT methods; Importance of static and dynamical electron correlation effects for OEC of PSII

    • Kawakami T
    • Miyagawa K
    • Isobe H
    • et al.
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  • Theory of chemical bonds in metalloenzymes XXI. Possible mechanisms of water oxidation in oxygen evolving complex of photosystem II

    • Yamaguchi K
    • Shoji M
    • Isobe H
    • et al.
    N/AReaders
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  • Automatic High-Throughput Screening Scheme for Organic Photovoltaics: Estimating the Orbital Energies of Polymers from Oligomers and Evaluating the Photovoltaic Characteristics

    • Imamura Y
    • Tashiro M
    • Katouda M
    • et al.
    N/AReaders
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  • From Linear to Foldamer and Assembly: Hierarchical Transformation of a Coplanar Conjugated Polymer into a Microsphere

    • Kushida S
    • Oki O
    • Saito H
    • et al.
    N/AReaders
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  • Quantum Chemical Estimation of Acetone Physisorption on Graphene Using Combined Basis Set and Size Extrapolation Schemes

    • Nishimura Y
    • Tsuneda T
    • Sato T
    • et al.
    N/AReaders
    N/ACitations
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Professional experience

Research Fellow

Research Organization for Information Science and Technology

April 2018 - Present

Guest Researcher (Guest Assistant Professor)

Waseda Research Institute for Science and Engineering, Waseda University

April 2018 - Present

Research Scientist

RIKEN Advanced Institute for Computational Science

October 2016 - March 2018(a year)

Postdoctoral Researcher

RIKEN Advanced Institute for Computational Science

October 2011 - September 2016(5 years)

Post-Doctoral Fellow

Department of Theoretical and Computational Molecular Science, Institute for Molecular Science

April 2003 - September 2011(8 years)

Education

M.S.

Department of Chemistry, School of Science and Engineering, Waseda University,

April 1997 - March 2003(6 years)