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Researcher Information

last modified:2020/05/14

Professor NAGAO Hidemi

Faculty, Affiliation

 Computational Science Course

College and School Educational Field

Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology
Division of Mathematical and Physical Sciences, Graduate School of Natural Science and Technology
School of Mathematics and Physics, College of Science and Engineering

Laboratory

Computational Bioscience

Academic Background

【Academic background(Doctoral/Master's Degree)】
Kanazawa University Doctor Graduate School of Natural Science and Technology Department of Material Science 199403 Completed
【Academic background(Bachelor's Degree)】
Kanazawa University Department of Chemistry 1988
【Degree】
PhD of Science

Career

Year & Month of Birth

1963/12

Academic Society



Award

Specialities

Electronic Structure、Biological physics/Chemical physics/Soft matter physics

Speciality Keywords

Electronic Structure, Biophysics

Research Themes

Theoretical Study on High-Tc Superconductors

Theoretical research on light-matter interactions

Molecular design for conductivity, superconductivity, magnetic property, and photophysic property development

Books

  •  Organometallic Conjugation John Wiley & Sons
  •  Kazutomo Kawaguchi, Hidemi Nagao Chemistry Kagaku Dojin 2019
  •  H.Nagao, A.M.Yaremko, S.P.Kruchinin, K.Yamaguchi New Trends in Superconductivity Kluwer Academic Publishers 2002

Papers

  •  A path integral centroid molecular dynamcis method for Bose and Fermi statistics J. Mol. Liq. 90 11-20 2001
  •  A semi-classical approach to the dynamics of many-body Bose/Fermi systems by the path integral centroid molecular dynamics J. Chem. Phys. 114 1454-1466 2001
  •  A theoretical study on conductivity of model polymer including DNA base pairs SYNTHETIC METALS 119 259-260 2001
  •  Adiabatic population inversion in multilevel systems Int. J. Quantum. Chem. 80 1068-1075 2000
  •  Analysis of difference two-electron density matrix between two states of magnetic molecules Int. J. Quantum Chem 85 204-213 2001

show all

  •  Calculation of quasiparticle energy of molecular systems by the GW method Int. J. Quantum Chem. 84 348-353 2001
  •  Control of intramolecular proton transfer by a laser field J. Phys. Chem. 105 8031-8037 2001
  •  Control of proton tautomerization using laser field SYNTHETIC METALS 121 1483-1484 2001
  •  Electronic structure calculation by Monte Carlo diagnalization method Int. J. Quantum Chem. 84 601-606 2001
  •  Exciton dynamics in model dendrimers Nonlinear Optics 26 193-200 2000
  •  Exciton Migration Pathways in Dendritic Molecular Aggregates Mol. Cryst. Liq. Cryst. 342 297-302 2000
  •  Generalized spin density functional theory for non-collinear molecular magnetism Int. J. Quantum. Chem. 80 664-671 2000
  •  Generalized spin orbital calculations of spin-flustrated molecules Int. J. Quantum Chem. 84 546-551 2001
  •  Generalized spin orbital GW thoery for spin-frustrated and spin-degenerated systems Int. J. Quantum Chem. 84 369-374 2001
  •  Generalized spin-density functional calculation for the spin frustrated systems Mol. Cryst. Liq. Cryst. 343 139-144 2000
  •  Intermolecular double proton transfer controlled by laser field SYNTHETIC METALS 121 1485-1486 2001
  •  Non Born-Oppenheimer density functional theory for excited states by using Green's function techniques Int. J. Quantum Chem. 84 354-362 2001
  •  Noncollinear spin density functional theory for spin-frustrated and spin-degenerated systems Int. J. Quantum Chem. 84 670-676 2001
  •  Polarizabilities of Dendritic Molecular Aggregates: Contribution of Exciton Generation Mol. Cryst. Liq. Cryst. 342 303-308 2000
  •  Possibilities of molecular magnetic metals and high Tc superconductors in field effect transistor configurations Int. J. Quantum Chem 85 619-635 2001
  •  Quantum spin dynamics in solution applicable to quantum computing J. Mol. Liq. 90 63-68 2001
  •  Quantum spin dynamics of antiferromagnetic ring with central excess spin SYNTHETIC METALS 121 1788-1789 2001
  •  Spatial contribution of virtual excitations to the second hyperpolarizabilities of fractal antenna molecular aggregates Nonlinear Optics 26 185-192 2000
  •  Spin-mediated superconductivity in cuprates, organic conductors and pi-d conjugated systems. Coordination Chemistry Review 226 235-249 2002
  •  Theoretical Studies on Anomalous Phases of Photo-doped Systems in Two-band Model J. Chem. Phys. 113 11237-11244 2000
  •  Theoretical studies on field-induced superconductivity in molecular crystals Int. J. Quantum Chem 85 608-618 2001
  •  Theoretical studies on magnetic behavior in clusters by the genetic algorithms Int. J. Quantum. Chem. 80 645-656 2000
  •  Theoretical Studies on Necessary Conditions for Reversible Photoinduced Magnetization: Cobalt-Iron Cyanide System Mol. Cryst. Liq. Cryst. 343 151-156 2000
  •  Theoretical studies on superconducting and other phases: Triplet superconductivity, ferromagnetism and ferromagnetic metal Int. J. Quantum. Chem. 80 721-732 2000
  •  Theoretical studies on the proton and electron transfer (PET) in a pseudo one-dimensional hydrogen bonded network system J. Mol. Liq. 90 69-74 2001
  •  Theoretical study on anomalous phases in organic systems with side chains SYNTHETIC METALS 121 1790-1791 2001
  •  Theoretical study on dependence of hyperpolarizability of one-dimensional ring system on the delocalization transition Int. J. Quantum Chem. 84 686-693 2001
  •  Theoretical study on dependency of conductivity on structure of the proton and electron coupled system Int. J. Quantum. Chem. 80 882-891 2000
  •  Theoretical study on exciton molecule in two-dimensional systems SYNTHETIC METALS 119 229-230 2001
  •  Theoretical study on magnetic quantum tunneling of anisotropic spin systems with magnetic field SYNTHETIC METALS 121 1784-1785 2001
  •  Theoretical study on magnetic structures of noncollinear magnets SYNTHETIC METALS 121 1786-1787 2001
  •  Theoretical study on quantum dynamics of Bose system interacting with photon field Int. J. Quantum Chem. 84 401-408 2001
  •  Theoretical study on triplet superconducting phase and other phases in hole-doped ferromagnetic systems SYNTHETIC METALS 121 1792-1793 2001
  •  Theoretical study on van der Waals and charge transfer interactions between molecules SYNTHETIC METALS 120 765-766 2001
  •  Third-order nonlinear optical properties of fractal antenna molecular aggregates: effects of aggregate architecture Nonlinear Optics 26 177-184 2000
  •  Theoretical study on interaction of cytochrome f and plastocyanin complex by a simple coarse-grained model with molecular crowding effect Nakagawa Satoshi, Kurniawan Isman, Kodama Koichi, Arwansyah Muhammad Saleh, Kawaguchi Kazutomo, Nagao Hidemi MOLECULAR PHYSICS 116 666-677 2018
  •  Effects of Hydrophilic Residues and Hydrophobic Length on Flip-Flop Promotion by Transmembrane Peptides Nakao Hiroyuki, Hayashi Chihiro, Ikeda Keisuke, Saito Hiroaki, Nagao Hidemi, Nakano Minoru JOURNAL OF PHYSICAL CHEMISTRY B 122 4318-4324 2018
  •  Quantum Chemical Study of Axial Ligand Effect on the Electronic Properties of Type I Copper Protein Kurniawan Isman, Kawaguchi Kazutomo, Sugimori Kimikazu, Sakurai Takeshi, Nagao Hidemi CHEMISTRY LETTERS 47 1172-1175 2018
  •  A Theoretical Study on Redox Potential and pK(a) of [2Fe-25] Cluster Model from Iron-Sulfur Proteins Kurniawan Isman, Kawaguehi Kazutomo, Shoji Mitsuo, Matsui Toru, Shigeta Yasuteru, Nagao Hidemi BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 1451-1456  2018
  •  Decomposition analysis of free energy profile for Hsp90-ADP association K. Kawaguchi, H. Saito, and H. Nagao Molecular Simulation 42 896-901 2016
  •  Inverted micelle formation of cell-penetrating peptide studied by coarse-grained simulation: Importance of attractive force between cell-penetrating peptides and lipid head group Kawamoto, Shuhei;Takasu, Masako;Miyakawa, Takeshi;Morikawa, Ryota;Oda, Tatsuki;Futaki, Shiroh;Nagao, Hidemi JOURNAL OF CHEMICAL PHYSICS 134 9 0-0 2011

Conference Presentations

  • Theoretical Studies on Stability and Dynamics of Protein by a Coarse-grained Model (conference:XXIX IUPAP Conference on Computational Physics, CCP2017)(2017/07/09)
  • Biophysics in Computational Science (conference:6th International Conference on Mathematics and Natural Science)(2016/11/02)

Arts and Fieldwork

Patent

Theme to the desired joint research

Grant-in-Aid for Scientific Research

○「スピン共役電子系の理論計算」(2000-)
○「核と電子を等価に扱う密度汎関数理論とダイナミックス」(2000-)
○「スピン共役電子系の理論計算」(2000-) 
○「核と電子を等価に扱う密度汎関数理論とダイナミックス」(2000-) 
○「核と電子を等価に扱う密度汎関数理論とダイナミックス」(2001-) 
○「有機分子性結晶の外場誘導超伝導発現の論理的研究」(2001-) 
○「光化学反応に於ける光照射ストレス下の電子伝達体ダイナミックスに関する理論的研究」(2014-2016) 
○「分子系の引き込み現象発現可能性に関する理論的研究」(2011-2012) 

Classes (Bachelors)

○Computational Molecular Science(2017)
○Presentation and Debate (Freshman Seminar II)(2017)
○International Training A(2017)
○International Training A(2017)
○International Training A(2017)
○Bio-Science(2017)
○International Training B(2017)
○Research Work in Computational Experimental Science(2017)
○Computer Experiments 1(2017)
○Freshman Seminar I(2017)
○Presentation and Debate (Freshman Seminar II)(2017)
○International Training B(2017)
○International Training B(2017)
○International Training B(2017)
○Mechanics 2(2017)
○International Training A(2017)
○Presentation and Debate (Freshman Seminar II)(2016)
○Computer Experiments 2(2016)
○International Training B(2016)
○International Training A(2016)
○International Training B(2016)
○International Training A(2016)
○International Training A(2016)
○International Training B(2016)
○International Training B(2016)
○International Training A(2016)
○Freshman Seminar I(2016)

Classes (Graduate Schools)

○Computational Chemistry and Bioscience a(2017)
○Applied Computational Science b(2017)
○Exercise B(2017)
○Research Work B(2017)
○Computational Chemistry and Bioscience b(2017)
○Seminar B(2017)
○Applied Computational Science a(2017)
○Surveys in Computational Science(2017)
○Computational Life Science(2017)
○Surveys in Computational Science(2017)
○Surveys in Computational Science(2017)
○Surveys in Computational Science(2017)
○Computational Life Science(2017)
○Computational Life Science(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Computational Life Science(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Special Topics in Frontiers of Computational Science(2017)
○Computational Chemistry and Bioscience a(2016)
○Computational Chemistry and Bioscience b(2016)
○Applied Computational Science b(2016)
○Applied Computational Science a(2016)

International Project

International Students

Lecture themes

Others (Social Activities)

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