名古屋大学大学院工学研究科 応用物質化学専攻 理論計算化学分野 岡崎研究室

English

論文等

Original Papers

  • Molecular dynamics study of the potential of mean force of SDS aggregates
    Shinji Kawada, Kazushi Fujimoto, Noriyuki Yoshii, and Susumu Okazaki
    J. Chem.Phys. (2017), in press
  • Molecular dynamics study of the aggregation rate for zwitterionic dodecyldimethylamine oxide and cationic dodecyltrimethylammonium chloride micelles
    Kazushi Fujimoto , Yousuke Kubo, Shinji Kawada, Noriyuki Yoshii, and Susumu Okazaki
    Mol. Sim. (2017), DOI: 10.1080/08927022.2017.1328557
  • Evaluation of atomic pressure in the multiple time-step integration algorithm
    Y Andoh, A. Yamada, N. Yoshii, S Okazaki
    J. Comput. Chem.,38, 704-713 (2017)
  • Detailed structural analysis of a self-assembled vesicular amphiphilic NCN-pincer Palladium complex by using wide-angle X-ray scattering and molecular dynamics calculations
    G. Hamasaka, T. Muto, Y. Andoh, K. Fujimoto, K. Kato, M. Takata, S. Okazaki, Y. Uozumi
    Chemistry-A European Journal,23, 1209 (2017)
  • Molecular Dynamics Study of the Morphology of Hydrated Perfluorosulfonic Acid Polymer Membranes
    A. Kuo, W. Shinoda, S. Okazaki
    J. Phys. Chem. C,120, 25832-25842 (2016)
  • A molecular dynamics study of local pressures and interfacial tensions of SDS micelles and dodecane droplets in water micelles and dodecane droplets in water
    Masahiro Kitabata, Kazushi Fujimoto, Noriyuki Yoshii, and Susumu Okazaki
    J. Chem. Phys., 144, 224701 (2016)
  • G-Protein/β-Arrestin-Linked Fluctuating Network of G-Protein-Coupled Receptors for Predicting Drug Efficacy and Bias Using Short-Term Molecular Dynamics Simulation
    Osamu Ichikawa, Kazushi Fujimoto, Atsushi Yamada, Susumu Okazaki, Kazuto Yamazaki
    PLOS ONE.,0155816 (2016)
  • Molecular dynamics study of lipid bilayers modeling the plasma membranes of mouse hepatocytes and hepatomas
    Y Andoh, N Aoki, S Okazaki
    J. Chem. Phys.,144, 085104 (2016)
  • A molecular dynamics study of the breathing and deforming modes of the spherical ionic SDS and nonionic C12E8 micelles
    Lin Wang, Kazushi Fujimoto, Noriyuki Yoshii,and Susumu Okazaki
    J. Chem. Phys.,144, 034903 (2016)
  • Molecular dynamics study of the structure of anionic SDS, cationic DTAC, zwitterionic DDAO, and nonionic C12E8 spherical micelles in solution
    Noriyuki Yoshii, Kazushi Fujimoto, Susumu Okazaki
    J. Mol. Liq.,217, 99-102 (2015)
  • Molecular Dynamics Simulations of Cholesterol-Rich Membranes Using a Coarse-Grained Force Field for Cyclic Alkanes
    C. M. MacDermaid, H. K. Kashyap, R. DeVane, W. Shinoda, J. B. Klauda, M. L. Klein, and G. Fiorin
    J. Chem. Phys.,143, 243144 (2015)
  • Coarse-grained molecular dynamics study of membrane fusion : Curvature effect on free energy barriers along the stalk mechanism
    S. Kawamoto, M.L. Klein, and W. Shinoda*
    J. Chem. Phys.,143, 243112 (2015).
  • Molecular Dynamics Study of the Formation Mechanisms of Ionic SDS and Nonionic C12E8 Micelles and N-Dodecane Droplets.
    Shinji Kawada, Mika Komori, Kazushi Fujimoto, Noriyuki Yoshii, Susumu Okazaki
    Chem. Phys. Lett.,646, 36 (2015)
  • A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum?classical approximation. II. Proton transfer reaction in non-polar solvent
    H. Kojima, A. Yamada and S. Okazaki
    J. Chem. Phys.,142, 174502-1-11 (2015).

  • Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulations
    S. Tsuzuki, W. Shinoda, M. Matsugami, Y. Umebayashi, K. Ueno, T. Mandai, S. Seki, K. Dokko and M. Watanabe
    Phys. Chem. Chem. Phys.,17, 126-129 (2015).

  • Precise Calculation of the Local Pressure Tensor in Cartesian and Spherical Coordinates in LAMMPS
    T. Nakamura, S. Kawamoto and W. Shinoda
    Comput. Phys. Comm
    ., 190, 120-128 (2015).

  • All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution
    Y. Andoh, N. Yoshii, A. Yamada, K. Fujimoto, H. Kojima, K. Mizutani, A. Nakagawa, A. Nomoto, and S. Okazaki
    J. Chem. Phys.,141, 165101(2014). [Cover title]
  • [70]Fullerenes Assists the Formation of Phospholipid Bicelles at Low Lipid Concentrations
    A. Ikeda, K. Kiguchi, T. Hida, K. Yasuhara, K. Nobusawa, M. Akiyama and W. Shinoda
    Langmuir, 30, 12315-12320(2014)
  • A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water
    A. Yamada, H. Kojima and S. Okazaki
    J.Chem.Phys.141, 084509(2014)
  • Dissociation of Methane Hydrate in Aqueous NaCl Solutions
    T. Yagasaki, M. Matsumoto, Y. Andoh, S. Okazaki and H. Tanakai
    J. Phys. Chem. B, 118, 11797-11804(2014).
  • Free energy surface for rotamers of cis-enol malonaldehyde in aqueous solution studied by molecular dynamics calculations
    H.Kojima, A. Yamada, and S. Okazaki
    Mol.Simul. 41, 850-856(2015)
  • Thermodynacic Stability of [60]Fullerene and γ-Cyclodextrin Complex in Aqueous Solution: Free Energy Simulation
    S. Mieda, A. Ikeda, Y. Shigeri, and W. Shinoda
    J. Phys. Chem. C, 118, 12555-12561(2014)
  • Molecular dynamics study of changes in physic-chemical properties of DMPC lipid bilayers by addition of nonionic surfactantC12E10
    Y. Andoh, S. Muraoka and S. Okazaki
    Mol. Simul. 41, 955-960(2015)
  • Effect of bubble formation on the dissociation of methane hydrate in water: A molecular dynamics study
    T. Yagasaki, M. Matsumoto, Y. Andoh, S. Okazaki, and H. Tanaka
    J.Phys. Chem. B 118, 1900-1906(2014)
  • MODYLAS: A highly parallelized general-purpose molecular dynamics simulation program for large-scale systems with long-range forces calculated by fast multipole method (FMM) and highly scalable fine-grained new parallel processing algorithms
    Y. Andoh, N. Yoshii, K. Fujimoto, K. Mizutani, H. Kojima, A. Yamada, S. Okazaki, K. Kawaguchi, H. Nagao, K. Iwahashi, F. Mizutani, K. Minami, S. Ichikawa, H. Komatsu, S. Ishizuki, Y. Takeda, and M. Fukushima
    J.Chem. Theory and Comput., 9, 7, 3201-3209 (2013)
  • Molecular dynamics study on the free energy profile for dissociation of ADP from N-terminal domain of Hsp90
    K. Kawaguchi, H. Saito, S. Okazaki, and H. Nagao
    Chem. Phys. Lett. 588, 226-230(2013)
  • Molecular dynamics study of lipid bilayers modeling the plasma membranes of normal murine thymocytes and leukemic GRSL cells
    Y.Andoh, S.Okazaki and R.Ueoka
    Biochim. Biophys. Acta- Biomembranes, 1828, 1259-1270(2013).
  • Molecular dynamics study of free energy of transfer of alcohol and amine from water phase to the micelle by thermodynamic integration method
    K. Fujimoto, N. Yoshii, and S. Okazaki
    J. Chem. Phys. 137, 094902, 1-6 (2012)
  • A molecular dynamics study of the lateral free energy profile of a pair of cholesterol molecules as a function of their distance in 1-palmitoyl-2-oleoyl-phosphatidylcholine bilayers
    Y. Andoh, K. Ono, S Okazaki, and I. Hatta
    J. Chem. Phys. 136, 055014, 1-5(2012)
  • Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations
    K. Fujimoto, N. Yoshii, and S. Okazaki
    J. Chem. Phys. 136, 014511, 1-9(2012)
  • Enthalpy and Entropy of transfer of alkanes from water phase to the micelle core
    K. Fujimoto, N. Yoshii and S. Okazaki
    Mol.Simul. 38, 342-345(2012)
  • An application of improved force field to fully hydrated DPPC and POPC bilayers in a tensionless NPT ensemble–A test of CHARMM 27-based new force field by Högberg et al.
    Y. Andoh, T. Ito, S. Okazaki
    Mol.Simul. 38, 414-418(2012)
  • An Improved Torsional Force Field for Cis-Enol Malonaldehyde
    Y. Kurokawa, H. Kojima, A. Yamada and S. Okazaki
    Mol.Simul. 38, 442-447(2012)
  • Molecular dynamics study of solubilization of immiscible solutes by a micelle: Free energy of transfer of alkanes from water to the micelle core by thermodynamic integration method
    K. Fujimoto, N. Yoshii and S. Okazaki
    J. Chem. Phys. 133, 074511, 1-6(2010.8)
  • All-Atom Molecular Dynamics Study of a Spherical Micelle Composed of N-Acetylated Poly(ethylene glycol)-Poly(γ-benzyl l-glutamate) Block Copolymers: A Potential Carrier of Drug Delivery Systems for Cancer
    H. Kuramochi, Y. Andoh, N. Yoshii and S. Okazaki
    J. Phys. Chem. B, 113,15181-15188(2009)
  • Structure and thermal fluctuation of one-dimensional AgO chains on Ag(110) surfaces studied with density functional theory and Monte Carlo simulations.
    I. Nakai, Y. Matsumoto, N. Takagi and S. Okazaki
    J. Chem. Phys. 129, 154709, 1-8(2008)
  • A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics
    A.Yamada and S. Okazaki
    J. Chem. Phys. 128, 044507(8pages)(2008)
  • A molecular dynamics study of structure and dynamics of surfactant molecules in SDS spherical micelle
    N. Yoshii and S. Okazaki
    Condens. Matt. Phys. 4, 573-578(2007)
  • Electrostatic potential gap at the interface between triethylamine and water phases studied by molecular dynamics simulation
    S. Kajimoto, N. Yoshii, J. Hobley, H. Fukumura, and S. Okazaki
    Chem. Phys. Lett. 448, 70-74(2007)
  • Free energy of water permeation into hydrophobic core of sodium dodecyl sulfate micelle by molecular dynamics calculation
    N. Yoshii and S. Okazaki
    J. Chem. Phys. 126, 096101(3 pages)(2007)
  • A molecular analysis of the vibrational energy relaxation mechanism of the CN- ion in water based upon path integral influence functional theory combined with a dipole expansion of the solute-solvent interaction
    Y. Okamoto, T. Mikami, N. Yoshii, and S. Okazaki
    J. Mol. Liq. 134, 34-39(2007)
  • A molecular dynamics study of surface structure of spherical SDS micelles
    N. Yoshii and S. Okazaki
    Chem. Phys. Lett. 426, 66-70(2006)
  • A molecular dynamics study of structural stability of spherical SDS micelle as a function of its size
    N. Yoshii and S. Okazaki
    Chem. Phys. Lett. 425, 58-61(2006)
  • A molecular dynamics study of free energy of micelle formation for SDS in water and its size distribution
    N. Yoshii, K. Iwahashi, and S. Okazaki
    J. Chem. Phys. 124, 184901(6 pages)(2006)
  • A surface hopping method for chemical reaction dynamics in solution described by diabatic representation: an analysis of tunneling and thermal activation
    A. Yamada and S. Okazaki
    J. Chem. Phys. 124, 094110(11 pages)(2006)
  • A molecular dynamics study of sodium chenodeoxycholate in an aqueous solution
    T. Nakashima, K. Iwahashi, and S. Okazaki
    Chem. Phys. Lett. 420, 489-492(2006)
  • A study of molecular vibrational relaxation mechanism in condensed phase based upon mixed quantu-classical molecular dynamics. II. Noncollisional mechanism for the relaxation of a polar solute in supercritical water
    M. Sato and S. Okazaki
    J. Chem. Phys. 123, 124509(9pages)(2005)
  • A study of molecular vibrational relaxation mechanism in condensed phase based upon mixed quantu-classical molecular dynamics. I. A test of IBC model for the relaxation of a nonpolar solute in nonpolar solvent at high density
    M. Sato and S. Okazaki
    J. Chem. Phys. 123, 124508(10pages)(2005)
  • Mixed quantum-classical molecular dynamics study of vibrational relaxation of CN- ion in water: An analysis of coupling as a function of time
    M. Sato and S. Okazaki
    J. Mol. Liq. 119, 15-22(2005)
  • A large-scale molecular dynamics study of dynamic structure factor and dispersion relation of acoustic mode in liquid and supercritical water
    T. Komatsu, N. Yoshii, S. Miura, and S. Okazaki
    Fluid Phase Equilibr. 226, 345-350(2004)
  • Vibrational relaxation time of CN- ion in water studied by mixed quantum-classical molecular dynamics: Comparison with Fermi’s golden rule and influence functional theory
    M. Sato and S. Okazaki
    Mol. Simul. 30, 835-839(2004)
  • Path integral influence functional theory of dynamics of coherence between vibrational states of solute in condensed phase
    T. Mikami and S. Okazaki
    J. Chem. Phys. 121, 10052-10064(2004)
  • An analysis of molecular origin of vibrational energy transfer from solute to solvent based upon path integral influence functional theory
    T. Mikami and S. Okazaki
    J. Chem. Phys. 119, 4790-4797 (2003)
  • Molecular dynamics study of mechanical extension of polyalanine by AFM cantilever
    K. Masugata, A. Ikai, and S. Okazaki
    Appl. Surf. Sci. 188, 372-376(2002)
  • Quantum effect of solvent on molecular vibrational energy relaxation of solute based upon path integral influence functional theory
    T. Mikami, M. Shiga, and S. Okazaki
    J. Chem. Phys. 115, 9797-9807(2001)
  • Path integral molecular dynamics based on a pair density matrix approximation: An algorithm for distinguishable and identical particle systems
    S. Miura and S. Okazaki
    J. Chem. Phys. 115, 5353-5361(2001)
  • A generalized Ornstein-Zernike integral equation study of atomic impurities in quantum fluids
    K. Shinoda, S. Miura, and S. Okazaki
    J. Chem. Phys. 115, 4161-4168(2001)
  • A molecular approach to quantum fluids based on a generalized Ornstein-Zernike integral equation
    K. Shinoda, S. Miura, and S. Okazaki
    J. Chem. Phys. 114, 7497-7505(2001)
  • A mixed quantum-classical molecular dynamics study of vibrational relaxation of molecule in the solution
    T. Terashima, M. Shiga, and S. Okazaki
    J. Chem. Phys. 114, 5663-5673(2001)
  • A molecular dynamics study of dielectric constant of water from ambient to sub- and supercritical conditions using fluctuating-charge potential model
    N. Yoshii, S. Miura, and S. Okazaki
    Chem. Phys. Lett. 345, 195-200(2001)
  • Isotope effect on the structure of quantum fluids: A generalized Ornstein-Zernike analysis
    K. Shinoda, S. Miura, and S. Okazaki
    Chem. Phys. Lett. 337, 306-312(2001)
  • Molecular dynamics study of the dipalmitoylphosphatidylcholine bilayer in the liquid crystal phase. An effect of the potential force field on the membrane structure
    W. Shinoda and S. Okazaki
    J. Mol. Liq. 90, 95-103(2001)
  • Path integral hybrid Monte Carlo calculation of the bosonic oscillators
    S. Miura and S. Okazaki
    J. Mol. Liq. 90, 21-28(2001)
  • Path integral molecular dynamics for Bose-Einstein and Fermi-Dirac statistics
    S. Miura and S. Okazaki
    J. Chem. Phys. 112, 10116-10124(2000)65’.
    • Path integral molecular dynamics for Bose-Einstein and Fermi-Dirac statistics
      S. Miura and S. Okazaki
      RIKEN Review. No.29(June.2000)
  • A molecular dynamics study of the equation of state of water using a fluctuating-charge model
    N. Yoshii, R. Miyauchi, S. Miura, and S. Okazaki
    Chem. Phys. Lett. 317, 414-420(2000)
  • Molecular dynamics study of vibrational energy relaxation of CN- in H2O and D2O solutions: An application of path integral influence functional theory to multiphonon processes
    M. Shiga and S. Okazaki
    J. Chem. Phys. 111, 5390-5401(1999), 113, 6451-6452(2000)
  • Path integral hybrid Monte Carlo for the bosonic many-body systems
    S. Miura and S. Okazaki
    Chem. Phys. Lett. 308, 115-122(1999)
  • Parallel molecular dynamics simulation: Implementation of PVM for a lipid membrane
    Z. Fang, A. D. J. Haymet, W. Shinoda, and S. Okazaki
    Comp. Phys. Commun. 116, 295-310(1999)
  • A neutron diffraction study of structure of molten thallium chloride
    R. Ishii, S. Okazaki, O. Odawara, I. Okada, M. Misawa, and T. Fukunaga
    Electrochem. 67, 726-728(1999)
  • A path integral centroid molecular dynamics study of nonsuperfluid liquid helium-4
    S. Miura, S. Okazaki, and K. Kinugawa
    J. Chem. Phys. 110, 4523-4532(1999)
  • Density fluctuation and hydrogen-bonded clusters in supercritical water. A molecular dynamics analysis using a polarizable potential model
    N. Yoshii, S. Miura, and S. Okazaki
    Bull. Chem. Soc. Jpn. 72, 151-162(1999)
  • Molecular dynamics study on the solvation structure of aqueous NaCN solution: instantaneous and quenched solvation structures
    M. Shiga and S. Okazaki
    Mol. Simul. 21, 377-385(1999)
  • A molecular dynamics study of sub- and supercritical water using a polarizable potential model
    N. Yoshii, H. Yoshie, S. Miura, and S. Okazaki
    J. Chem. Phys. 109, 4873-4884(1998)
  • Molecular dynamics study on electrostatic properties of a lipid bilayer: Polarization, electrostatic potential, and the effects on structure and dynamics of water near the interface
    W. Shinoda, M. Shimizu, and S. Okazaki
    J. Phys. Chem. B102, 6647-6654(1998)
  • A molecular dynamics study of the vibrational energy relaxation of cyanide ion in the aqueous solution
    M. Shiga and S. Okazaki
    Chem. Phys. Lett. 292, 431-436(1998)
  • An influence functional theory of multiphonon processes in molecular vibrational energy relaxation
    M. Shiga and S. Okazaki
    J. Chem. Phys. 109, 3542-3552(1998)
  • A structural study of supercritical Xe, CO2, and CF3Cl by neutron scattering measurements
    R. Ishii, S. Okazaki, I. Okada, M. Furusaka, N. Watanabe, M. Misawa, and T. Fukunaga
    Mol. Phys. 95, 43-49(1998)
  • A Voronoi analysis of lipid area fluctuation in a bilayer
    W. Shinoda and S. Okazaki
    J. Chem. Phys. 109, 1517-1521(1998)
  • A molecular dynamics study of PρT-diagram of sub- and supercritical water using a polarizable potential model
    N. Yoshii, H. Yoshie, S. Miura, and S. Okazaki
    Rev. High Pressure Sci. Technol. 7, 1115-1117(1998)
  • Quantum twinkling: Statistics, coherence and high order moments of probability amplitudes for systems coupled to quantum baths
    S. Okazaki, J. Wang, S. A. Schofield, and P. G. Wolynes
    Chem. Phys. 222, 175-196(1997)
  • Molecular dynamics study of structure of clusters in supercritical Lennard-Jones fluid
    N. Yoshii and S. Okazaki
    Fluid Phase Equil. 144, 225-232(1997)
  • A large-scale and long-time molecular dynamics study of supercritical Lennard-Jones fluid. An analysis of high temperature clusters
    N. Yoshii and S. Okazaki
    J. Chem. Phys. 107, 2020-2033(1997)
  • Molecular dynamics study of a lipid bilayer: Convergence, structure, and long-time dynamics
    W. Shinoda, N. Namiki, and S. Okazaki
    J. Chem. Phys. 106, 5731-5743(1997)
  • Density dependence of structure of supercritical carbon dioxide along an isotherm
    R. Ishii, S. Okazaki, I. Okada, M. Furusaka, N. Watanabe, M. Misawa, and T. Fukunaga
    J. Chem. Phys. 105, 7011-7021(1996)
  • A quantum dynamics simulation of vibration of molecule by Pechukas method
    S. Okazaki
    Mol. Simul. 16, 107-117(1996)
  • Density dependence of rotational relaxation of supercritical CF3H
    S. Okazaki, M. Matsumoto, I. Okada, K. Maeda, and Y. Kataoka
    J. Chem. Phys. 103, 8594-8601(1995)
  • A neutron scattering study of structure of supercritical carbon dioxide
    R. Ishii, S. Okazaki, I. Okada, M. Furusaka, N. Watanabe, M. Misawa, and T. Fukunaga
    Chem. Phys. Lett. 240, 84-88(1995)
  • Raman spectroscopic study of rotational and vibrational relaxation of CF3H in the supercritical state
    S. Okazaki, N. Terauchi, and I. Okada
    J. Mol. Liquids 65/66, 309-312(1995)
  • Structural study of supercritical carbon dioxide by neutron diffraction
    R. Ishii, S. Okazaki, O. Odawara, I. Okada, M. Misawa, and T. Fukunaga
    Fluid Phase Equil. 104, 291-304(1995)
  • Molecular dynamics simulation of the dipalmitoylphosphatidylcholine(DPPC) lipid bilayer in the fluid phase using the Nose-Parrinello-Rahman NPT ensemble
    W. Shinoda, T. Fukada, S. Okazaki, and I. Okada
    Chem. Phys. Lett. 232, 308-312(1995)
  • Neutron diffraction study of the Li-Cl distance in molten mixture systems (Li, K)Cl and (Li, Cs)Cl
    Y. Miyamoto, S. Okazaki, O. Odawara, I. Okada, M. Misawa, and T. Fukunaga
    Mol. Phys. 82, 887-895(1994)
  • Molecular dynamics study of the lauryl alcohol-laurate model bilayer
    T. Fukada, S. Okazaki, and I. Okada
    Biophys. J. 64, 1344-1353(1993)
  • Pulsed neutron diffraction study on the structures of glassy 7LiX-KX-CsX-BaX2(X=Cl, Br, and I)
    K. Kinugawa, N. Ohtori, K. Kadono, H. Tanaka, S. Okazaki, M. Misawa, and T. Fukunaga
    J. Chem. Phys. 99, 5345-5351(1993)
  • A simulation approach to vibrational dynamics of the OH- ion in molten LiOH
    S. Okazaki and I. Okada
    J. Chem. Phys. 98, 607-615(1993)
  • The determination of the radial distribution functions ɡLi-Li(r), ɡLi-O(r), andɡLi-N(r) in molten lithium nitrate from neutron diffraction
    A. K. Adya, G. W. Neilson, I. Okada, and S. Okazaki
    Mol. Phys. 79, 1327-1350(1993)
  • Study of rotational and vibrational relaxation of the CO32- ion in molten alkali carbonates by Raman spectroscopy
    S. Okazaki, M. Matsumoto, and I. Okada
    Mol. Phys. 79, 611-621(1993)
  • Isotope and temperature effects on the vibrational and rotational relaxation in molten alkali hydroxides
    Y. Suzuki, S. Okazaki, and I. Okada
    Mol. Phys. 76, 1131-1145(1992)
  • A molecular dynamics study on dynamic structure factors of molten LiCl and LiCl-CsCl
    S. Okazaki, Y. Miyamoto, and I. Okada
    Phys. Rev. B45, 2055-2062(1992)
  • Molecular dynamics studies on molten alkali hydroxides. III. One-particle dynamics of ions in molten LiOH
    S. Okazaki and I. Okada
    Mol. Simul. 6, 265-273(1991)
  • Cation dependence of the vibrational and rotational relaxation of OH- ion in molten MOH (M=Li, Na, K, Rb, and Cs) by Raman scattering measurements
    N. Ohtori, S. Okazaki, and I. Okada
    J. Chem. Phys. 94, 3101-3106(1991)
  • Molecular dynamics studies on molten alkali hydroxides. II. Rotational and translational motions of ions in molten LiOH
    S. Okazaki, N. Ohtori, and I. Okada
    J. Chem. Phys. 93, 5954-5960(1990)
  • Molecular dynamics studies on molten alkali hydroxides. I. Static properties of molten LiOH
    S. Okazaki, N. Ohtori, and I. Okada
    J. Chem. Phys. 92, 7505-7514(1990)
  • Structural study on molten MOD(M=7Li, Na, and K) by pulsed neutron diffraction
    N. Ohtori, S. Okazaki, O. Odawara, I. Okada, M. Misawa, and T. Fukunaga
    J. Phys. : Condens. Matter 2, 8439-8444(1990)
  • Pulsed neutron diffraction study on a molten NaOD structure using a nickel metal cell
    N. Ohtori, S. Okazaki, O. Odawara, I. Okada, M. Misawa, and T. Fukunaga
    J. Phys. : Condens. Matter 2, 5825-5832(1990)
  • Raman spectroscopic study of vibrational and rotational relaxation of the CO32- ion in molten Li2CO3
    M. Matsumoto, S. Okazaki, and I. Okada
    J. Chem. Phys. 92, 1515-1516(1990)
  • Raman spectroscopic study of vibrational and rotational relaxation of the NO3- ion in molten binary systems (Li-K)NO3 and (Na-K)NO3
    M. Matsumoto, S. Okazaki, and I. Okada
    Mol. Phys. 68, 671-680(1989)
  • Raman spectroscopic study on the vibrational and rotational relaxation of OH- ion in molten LiOH
    S. Okazaki, N. Ohtori, and I. Okada
    J. Chem. Phys. 91, 5587-5591(1989)
  • Li+-OH- intra- and interionic interactions derived from decomposition of ab initio three body force
    S. Okazaki and I. Okada
    J. Chem. Phys. 90, 5595-5605(1989)
  • Performance testing of 10-kW class advanced batteries for electric energy storage systems in Japan
    M. Futamata, S. Higuchi, O. Nakamura, I. Ogino, Y. Takada, S. Okazaki, S. Ashimura, and S. Takahashi
    J. Power Sources 24, 137-155(1988)
  • Transient response of 10-kW class advanced batteries to abrupt load changes
    M. Futamata, S. Higuchi, O. Nakamura, I. Ogino, Y. Takada, S. Okazaki, S. Ashimura, and S. Takahashi
    J. Power Sources 24, 31-39(1988)
  • Influence of rest time in an intermittent discharge capacity test on the resulting performance of manganese-zinc and alkaline-manganese dry batteries
    S. Okazaki, S. Takahashi, and S. Higuchi
    Prog. Batt. & Solar Cells 6, 106-109(1987)
  • Fundamental studies of utility requirement for secondary batteries - lead-acid batteries
    O. Nakamura, S. Higuchi, S. Okazaki, and S. Takahashi
    J. Power Sources 17, 296-301(1986)
  • Influence of superimposed alternating current on capacity and cycle life for lead-acid batteries
    S. Okazaki, S. Higuchi, O. Nakamura, and S. Takahashi
    J. Appl. Electrochem. 16, 894-898(1986)
  • Predicted and observed initial short circuit current for lead-acid batteries
    S. Okazaki, S. Higuchi, N. Kubota, and S. Takahashi
    J. Appl. Electrochem. 16, 631-635(1986)
  • Measurement of short circuit current for low internal resistance batteries
    S. Okazaki, S. Higuchi, N. Kubota, and S. Takahashi
    J. Appl. Electrochem. 16, 513-516(1986)
  • Second order harmonic in the current response to sinusoidal perturbation voltage for lead-acid battery - an application to a state-of-charge indicator
    S. Okazaki, S. Higuchi, and S. Takahashi
    J. Electrochem. Soc. 132, 1516-1520(1985)
  • Relation between AH charging rate and WH charging rate
    S. Higuchi, S. Takahashi, and S. Okazaki
    Prog. Batt & Solar Cells 5, 190-192(1984)
  • Evaluation test of manganese-zinc and alkaline manganese dry cells
    S. Takahashi and S. Okazaki
    Prog. Batt. & Solar Cells 5, 161-169(1984)
  • Computer experiments of aqueous solutions. V. Monte Carlo calculation on the hydrophobic interaction in 5 mol% methanol solution
    S. Okazaki, H. Touhara, and K. Nakanishi
    J. Chem. Phys. 81, 890-894(1984)
  • Computer experiments on aqueous solutions. III. Monte Carlo calculation on the hydration of tert-butyl alcohol in an infinitely dilute aqueous solution with a new water-butanol pair potential
    K. Nakanishi, K. Ikari, S. Okazaki, and H. Touhara
    J. Chem. Phys. 80, 1656-1670(1984)
  • Computer experiments on aqueous solution. I. Monte Carlo calculation on the hydration of methanol in an infinitely dilute aqueous solution with a new water-methanol pair potential
    S. Okazaki, K. Nakanishi, and H. Touhara
    J. Chem. Phys. 78, 454-469(1983)
  • Temperature effect on the hydrophobic hydration in aqueous solution of a nonpolar molecule by Monte Carlo calculation
    S. Okazaki, H. Touhara, K. Nakanishi, and N. Watanabe
    Bull. Chem. Soc. Jpn. 55, 2827-2830(1982)
  • Free energy of mixing, phase stability and local composition in Lennard-Jones liquid mixtures
    K. Nakanishi, S. Okazaki, K. Ikari, T. Higuchi, and H. Tanaka
    J. Chem. Phys. 76, 629-636(1982)
  • Thermodynamic properties of aqueous mixtures of hydrophobic compounds. 2-Amino- ethanol and its methyl derivatives
    H. Touhara, S. Okazaki, F. Okino, H. Tanaka, K. Ikari, and K. Nakanishi
    J. Chem. Thermodyn. 14, 145-156(1982)
  • Hydration structure around a nonelectrolyte molecule as revealed by Monte Carlo calculation : have you seen the "iceberg"?
    K. Nakanishi, S. Okazaki, K. Ikari, and H. Touhara
    Chem. Phys. Lett. 84, 428-432(1981)
  • Four-M calculations on methanol-water solutions
    S. Okazaki, K. Nakanishi, and H. Touhara
    Anal. Chim. Acta 133, 753-757(1981)
  • Monte Carlo study on the size dependence in hydrophobic hydration
    S. Okazaki, K. Nakanishi, H. Touhara, N. Watanabe, and Y. Adachi
    J. Chem. Phys. 74, 5863-5871(1981)
  • Monte Carlo studies on the hydrophobic hydration in dilute aqueous solution of nonpolar molecules
    S. Okazaki, K. Nakanishi, H. Touhara, and Y. Adachi
    J. Chem. Phys. 71, 2421-2429(1979)

    Reviews

    1. MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program
      N. Yoshii, Y. Andoh, K. Fujimoto, H. Kojima, A. Yamada, and S. Okazaki
      Int. J. Quant.Chem. (2014), in press
    2. 脂質膜透過現象の分子シミュレーションによる研究
      篠田 渉
      膜(MEMBRANE),39,372-378(2014)
    3. "スーパーコンピュータ「京」の利用" 全原子分子動力学 シミュレーション
      安藤 嘉倫、岡崎進
      情報処理 55, No.8,798-803 (2014)
    4. 日本のスーパーコンピュータ事情
      岡崎 進
      巨大分子系の計算科学-超大型計算機時代の理論化学の新展開-
      日本化学会編
      化学同人、82-87(2012).
    5. 巨大システムの分子動力学シミュレーション
      岡崎 進
      巨大分子系の計算科学-超大型計算機時代の理論化学の新展開-
      日本化学会編
      化学同人、82-87(2012).
    6. 次世代スーパーコンピュータプロジェクト ナノサイエンスグランドチャレンジ研究-ナノ生体物質の分子動力学シミュレーション-
      岡崎 進
      ナノ学会会報 9, 65-69(2011).
    7. “超スパコン”時代のコンピュータ・シミュレーション
      岡崎 進
      化学 66, No.4, 26-27(2011).
    8. 次世代ナノ統合シミュレーションソフトウェアの研究開発“次世代ナノ生体物質”
      岡崎 進
      計算工学 15, No.3, 16-17(2010).
    9. 次世代ナノ統合シミュレーションソフトウェアの研究開発“中核アプリケーションの高度化
      岡崎 進
      計算工学 15, No.3, 22-23(2010).
    10. 計算機性能の向上がもたらしたシミュレーション研究
      岡崎 進
      別冊化学 化学のブレークスルー[理論化学編] 化学5月号別冊(2010).
    11. 分子シミュレーションで生体膜の謎に迫る!−分子動力学法による膜機能の解明を目指して
      安藤嘉倫、岡崎 進
      化学 63, 25-29(2008).
    12. 分子シミュレーションの基礎と応用 分子動力学法II
      吉井範行、岡崎 進
      応用物理 75, 903-907(2006).
    13. 分子シミュレーションの基礎と応用 分子動力学法I
      吉井範行、岡崎 進
      応用物理 75, 718-721(2006).
    14. 分子動力学法-動く分子模型
      岡崎 進
      化学と教育 49, 714-717(2001).
    15. Dynamical approach to vibrational relaxation
      S. Okazaki
      Adv. Chem. Phys. 118, 191-270(2001).
    16. 超臨界水・水溶液の計算機シミュレーション
      吉井範行、三浦伸一、岡崎 進
      高圧力の化学と技術 10, 275-282(2000).
    17. 分子動力学法
      中西浩一郎、岡崎 進、中川節子
      季刊化学総説46, 135-147(2000).
    18. 溶液内超高速振動緩和の分子動力学計算
      岡崎 進
      季刊化学総説 44, 135-145(2000).
    19. 分子動力学シミュレーションによる脂質二重層膜の構造と動力学
      篠田 渉、岡崎 進
      電気化学68, 129-133(2000).
    20. 超臨界水・水溶液の流体構造と動的性質
      吉井範行、岡崎 進
      熱物性 13, 84-91(1999).
    21. コンピュータシミュレーションの将来と課題
      岡崎 進
      化学 52 No.12, 34-38(1997).
    22. MD計算の研究現場
      岡崎 進
      化学 52 No.11, 29-33(1997).
    23. 温度と圧力を制御するMD法
      岡崎 進
      化学 52 No.10, 40-44(1997).
    24. シミュレーション結果を視覚化する
      岡崎 進
      化学 52 No.9, 32-35(1997).
    25. 分子の軌跡から化学を抽出する
      岡崎 進
      化学 52 No.8, 30-34(1997).
    26. 運動方程式を解く
      岡崎 進
      化学 52 No.7, 36-40(1997).
    27. 分子に働く力を見積もる(2)
      岡崎 進
      化学 52 No.6, 46-49(1997).
    28. 分子に働く力を見積もる(1)
      岡崎 進
      化学 52 No.5, 36-40(1997).
    29. 分子の回転運動を追跡する
      岡崎 進
      化学 52 No.4, 46-50(1997).
    30. F=maをもっと一般的な原理で表す
      岡崎 進
      化学 52 No.3, 44-48(1997).
    31. MDシミュレ-ションの考え方と手順
      岡崎 進
      化学 52 No.2, 50-54(1997).
    32. コンピュータケミストリーとは何か
      岡崎 進
      化学 52 No.1, 46-50(1997).
    33. 疎水効果
      岡崎 進
      化学 51, 685(1996).
    34. 生体膜を計算機で見る
      岡崎 進
      蛋白質・核酸・酵素 41, 1422(1996).
    35. 脂質二重層膜の分子動力学シミュレ-ション
      岡崎 進
      表面 34, 205-212(1996).
    36. 超臨界流体の理論と計算
      岡崎 進
      高圧力の化学と技術 5, 14-23(1996).
    37. 分子動力学計算で調べる超臨界流体の構造とダイナミックス
      岡崎 進
      日経サイエンス 10, 60-61(1995).
    38. 溶融塩中多原子イオンの溶媒和構造と振動・回転緩和
      岡崎 進、岡田 勲
      溶融塩 38, 226-235(1995).
    39. 計算機実験-分子動力学法とモンテ・カルロ法
      岡崎 進
      季刊化学総説25, 166-182(1995).
    40. イオン性融体の構造と動的挙動
      岡崎 進、岡田 勲
      季刊化学総説 25, 111-123(1995).
    41. 超臨界流体の微視的状態
      岡崎 進
      化学と教育 43, 153-157(1995).
    42. コンピュータシミュレーション-水溶液系の新たな展開
      岡崎 進
      化学 47, 302-305(1992).
    43. 分子動力学およびモンテカルロシミュレーション
      岡田 勲、岡崎 進
      工業材料 40, 14-19(1992).
    44. 密度汎関数法を用いた分子動力学シミュレーション
      岡崎 進
      化学 46, 78-79(1991).
    45. 新型電池電力貯蔵システムー開発の現状ー
      大高英司、岡崎 進
      エネルギー・資源 8, 185-191(1987).
    46. 計算機実験ー水と水溶液系へのアプローチ
      岡崎 進、中西浩一郎
      化学 35, 1004-1006(1980).

    Textbooks

           
    1. 計算科学のためのHPC技術1
      下司雅章 編(吉井範行 部分執筆)
      大阪大学出版会 (2017).
    2.      
    3. 計算科学のためのHPC技術2
      下司雅章 編(安藤嘉倫 部分執筆)
      大阪大学出版会 (2017).
    4. イオン液体研究最前線と社会実装 「第5章 計算化学を用いたイオン液体の物性予測」
      渡邉正義監修(篠田渉 部分執筆)
      シーエムシー出版、49-56 (2016).
    5. 物質の熱力学的ふるまいとその原理~化学熱力学~
      岡崎 進
      サイエンス社、1-185 (2016).
    6. 化学のブレークスルー
      化学同人編集部(岡崎進 分担執筆)
      化学同人、122-126 (2011).
    7. コンピュータ・シミュレーションの基礎 第2版 - 分子のミクロな性質を解明するために-
      岡崎 進、吉井範行(共著)
      化学同人、1-303 (2011).
    8. 実験化学講座12 計算化学
      日本化学会編 (岡崎進 分担執筆)
      丸善、315-365 (2004).
    9. 化学便覧 応用化学編
      日本化学会編(岡崎進 分担執筆)
      丸善、515-517 (2003).
    10. 原子・分子のナノ力学
      森田清三編(岡崎進 分担執筆)
      丸善65-73, 189-193(2003).
    11. 化学フロンティア「生体系のコンピュータシミュレーション」
      岡崎 進、岡本祐幸 (共編)
      化学同人、1-262 (2002).
    12. Supercritical Fluid Science and Technology
      edited by Y. Arai T. Sako, and Y. Takebayashi(岡崎進 分担執筆)
      Springer-Verlag 30-36 (2002).
    13. コンピュータ・シミュレーションの基礎
      岡崎 進 著
      化学同人、1-228 (2000).
    14. 溶融塩・熱技術の基礎
      溶融塩・熱技術研究会編(岡崎進 分担執筆)
      アグネ技術センター、17-19 (1993).
    15. Structure and Dynamics of Solutions
      edited by H. Ohtaki and H. Yamatera(岡崎進 分担執筆)
      Elsevier, 115-129 (1992).
    16. 分子シミュレ-ション入門
      岡田 勲、大沢映二編(岡崎進 分担執筆)
      海文堂、63-80, 99-104 (1989).
    17. 液体と溶液(J.N.マレル、E.A.バーチャー著)
      中西浩一郎、飯田雅康、岡崎 進(共訳)
      啓学出版、18-91 (1985).

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