研究者データベース

宮田 竜彦ミヤタ タツヒコ

所属部署名大学院理工学研究科 数理物質科学専攻
職名助教
Last Updated :2019/10/08

研究者基本情報

基本情報

氏名

  • 氏名

    宮田 竜彦
  • 氏名(カナ)

    ミヤタ タツヒコ

所属

所属・職名

  • 部署

    大学院理工学研究科 数理物質科学専攻
  • 職名

    講師

学歴等

学歴

  • 1998年, 京都大学, 工学研究科, 化学工学専攻
  • 2001年, 京都大学, 工学研究科, 化学工学専攻
  • 1998年
  • 2001年

学位

  • 博士(工学)

その他基本情報

所属学協会

  • 日本生物物理学会
  • 溶液化学研究会
  • 分子シミュレーション研究会
  • 高分子学会
  • 化学工学会

研究活動情報

研究分野等

研究キーワード

  • 統計力学
  • 分子シミュレーション
  • 生物物理
  • 溶液化学

著書・発表論文等

論文

  • An assessment of the sigma enlarging bridge function for a Lennard-Jones solution using a solvent-solvent correlation function obtained from molecular dynamics simulation, Tatsuhiko Miyata, Yu Ogasawara, Takahiro Fujii, Daigo Yano, Yuki Ebato, Journal of Molecular Liquids, 2019年09月, [査読有り], 01677322, 10.1016/j.molliq.2019.111167
  • A study on the transferability of the sigma enlarging bridge function for an accurate evaluation of solvation free energy: The case of homonuclear Lennard-Jones diatomic solute solvated in a Lennard-Jones monatomic solvent, Tatsuhiko Miyata, Naoya Yabuki, AIP Advances, 2019年02月, [査読有り], 10.1063/1.5087935
  • Molecular dynamics simulations of theoretical cellulose nanotube models, Takuya Uto, Yuta Kodama, Tatsuhiko Miyata, and Toshifumi Yui, Carbohydr. Polym., 2018年06月, [査読有り], 10.1016/j.carbpol.2018.03.004
  • Performance of Kobryn-Gusarov-Kovalenko closure from a thermodynamic viewpoint for one-component Lennard-Jones fluids, Tatsuhiko Miyata and Kentaro Tange, Chem. Phys. Lett., 2018年05月, [査読有り], 10.1016/j.cplett.2018.04.013
  • Correction of Kovalenko-Hirata closure in Ornstein-Zernike integral equation theory for Lennard-Jones fluids, Tatsuhiko Miyata, Yuki Ebato, J. Molec. Liquids, 2017年11月, [査読有り], 10.1016/j.molliq.2017.05.134
  • A Parameterization of Empirical Sigma Enlarging Bridge Correction of Kovalenko-Hirata Closure in Ornstein-Zernike Theory for Lennard-Jones Fluids, Tatsuhiko Miyata, Bull. Chem. Soc. Jpn., 2017年10月, [査読有り], 10.1246/bcsj.20170203
  • Accuracy of Temperature-Derivative of Radial Distribution Function Calculated under Approximations in Ornstein-Zernike Theory for One-Component Lennard-Jones Fluid, Tatsuhiko Miyata, Sanae Miyazaki, Chemical Physics Letters, 2016年08月, [査読有り], 10.1016/j.cplett.2016.06.049
  • A pressure consistent bridge correction of Kovalenko-Hirata closure in Ornstein-Zernike theory for Lennard-Jones fluids by apparently adjusting sigma parameter, Yuki Ebato, Tatsuhiko Miyata, AIP advances, 2016年05月, [査読有り], 10.1063/1.4950703
  • Thermodynamic significance to correct the location of first rising region in radial distribution function approximately estimated from Ornstein-Zernike integral equation theory for Lennard-Jones fluids, Tatsuhiko Miyata, Yuki Ebato, Journal of Molecular Liquids, 2016年05月, [査読有り], 10.1016/j.molliq.2015.11.054
  • Accuracy of solvation free energy calculated by hypernetted chain and Kovalenko-Hirata approximations for two-component system of Lennard-Jones liquid, Tatsuhiko Miyata, Jyoti Thapa, Chemical Physics Letters, 2014年06月, [査読有り], 10.1016/j.cplett.2014.05.002
  • Prediction of cellulose nanotube models through density functional theory calculations, UTO Takuya, MIYATA Tatsuhiko, YUI Toshifumi, Cellulose, 2014年02月, [査読有り], 10.1007/s10570-013-0125-y
  • Free energy calculation using molecular dynamics simulation combined with the three-dimensional reference interaction site model theory. II. Thermodynamic integration along a spatial reaction coordinate, Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata, Journal of Chemical Physics, 2011年01月, [査読有り], 10.1063/1.3532078
  • Molecular Approach To Understand the Tacticity Effects on the Hydrophilicity of Poly(N-isopropylacrylamide): Solubility of Dimer Model Compounds in Water, KATSUMOTO Yukiteru, KUBOSAKI Noriyuki, MIYATA Tatsuhiko, Journal of Physical Chemistry B, 2010年, [査読有り], 1520-6106, 10.1021/jp107442h
  • Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I. Free energy perturbation and thermodynamic integration along a coupling parameter, Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata, Journal of Chemical Physics, 2010年07月, [査読有り], 10.1063/1.3462276
  • Systematic Docking Study of the Carbohydrate Binding Module Protein of Cel7A with the Cellulose Iα Crystal Model, YUI Toshifumi, SHIIBA Hirohide, TSUTSUMI Yuya, HAYASHI Sachio, MIYATA Tatsuhiko, HIRATA Fumio, Journal of Physical Chemistry B, 2010年01月, [査読有り], 1520-6106, 10.1021/jp908249r
  • Combination of Molecular Dynamics Method and 3d-RISM Theory for Conformational Sampling of Large Flexible Molecules in Solution, Tatsuhiko Miyata, Fumio Hirata, Journal of Computational Chemistry, 2008年03月, [査読有り], 0192-8651, 10.1002/jcc.20844
  • Reference interaction site model study on the anomeric equilibrium of D-glucose in aqueous solution, Tatsuhiko Miyata, Condensed Matter Physics, 2007年, [査読有り]
  • Nanoscale architecture of metal-oxide-pillared clays using supercritical CO2, YODA S, NAGASHIMA Y, ENDO A, MIYATA T, YANAGISHITA H, OTAKE K, TSUCHIYA T, Advanced Materials, 2005年02月, [査読有り], 0935-9648, 10.1002/adma.200400469
  • Gibbs Ensemble Monte Carlo Simulation of LJ Fluid in Cylindrical Pore with Energetically Heterogeneous Surface, Molecular Simulation, 2004年, [査読有り], 10.1080/08927020310001645246
  • Synthesis of Ordered Microporous Silica by the Solvent Evaporation Method, ENDO A, MIYATA T, AKIYA T, NAKAIWA M, INAGI Y, NAGAMINE S, Journal of Materials Science, 2004年, [査読有り], 0022-2461, 10.1023/B:JMSC.0000012958.40071.50
  • Synthesis of titania-pillared montmorillonite via intercalation of titanium alkoxide dissolved in supercritical carbon dioxide, YODA S, SAKURAI Y, ENDO A, MIYATA T, YANAGISHITA H, OTAKE K, TSUCHIYA T, Journal of Materials Chemistry, 2004年, [査読有り], 0959-9428, 10.1039/b404584j
  • Evaluation of Pore Size Distribution in Boundary Region of Micropore and Mesopore Using Gas Adsorption Method, MIYATA T, ENDO A, OHMORI T, AKIYA T, NAKAIWA M, Journal of Colloid and Interface Science, 2003年06月, [査読有り], 0021-9797, 10.1016/S0021-9797(02)00254-0
  • TiO2-montmorillonite composite via supercritical intercalation, YODA S, SAKURAI Y, ENDO A, MIYATA T, OTAKE K, YANAGISHITA H, TSUCHIYA T, Chemical Communications, 2002年, [査読有り], 1359-7345, 10.1039/b202589b
  • Brownian Dynamics Simulation Study of Self-Diffusion of a Charged Particle in Swollen Counter-Charged Hydrogel Modeled as Cubic Lattice, Tatsuhiko Miyata, Akira Endo, Takao Ohmori, Masaru Nakaiwa, Mariko Kendo, Ken-ichi Kurumada, Masataka Tanigaki, Journal of Chemical Engineering of Japan, 2002年, [査読有り], 0021-9592|1881-1299, 10.1252/jcej.35.640
  • 荷電ゲルの立方格子モデル中でのブラウン動力学法による球状粒子の自己拡散シミュレーション, 宮田竜彦, 車田研一, 谷垣昌敬, 化学工学論文集, 2001年, [査読有り], 0386-216X|1349-9203, 10.1252/kakoronbunshu.27.42
  • 界面活性剤ゲル中における微粒子の動的挙動, 山本 拓司, 宮田 竜彦, 車田 研一, 谷垣 昌敬, 化学工学論文集, 2000年, [査読有り], 0386-216X|1349-9203, 10.1252/kakoronbunshu.26.347

書籍等出版物

  • 材料表面の親水・親油の評価と制御設計, 宮田竜彦・吉田紀生, 分担執筆, 液体の統計力学理論による分子認識・会合過程に関する研究(pp.541-pp.544), テクノシステム, 2016年

講演・口頭発表等

  • Integral equation theory for describing the solvation of heteronuclear LJ diatomic solute in LJ monatomic solvent, 宮田 竜彦, 木内竜大, The 13th Mini-Symposium on Liquids (MSL2019), 2019年06月
  • OZ系の積分方程式理論から求まる溶媒和自由エネルギー高精度化の試み, 宮田 竜彦, 研究会「凝縮系の理論化学」, 2019年03月, 招待有り
  • Ornstein-Zernike 理論に基づく溶媒和自由エネルギー高精度化の試み, 宮田竜彦・矢吹直哉, 第31回分子シミュレーション討論会, 2017年11月
  • OZ理論による溶媒和自由エネルギーの精度:LJ 溶媒へのLJ 等核二原子分子の溶媒和について,, 宮田竜彦・矢吹直哉, 第40回溶液化学シンポジウム, 2017年10月
  • Accuracy of solvation free energy evaluated from Ornstein-Zernike integral equation theory for Lennard-Jones solvent system, 宮田 竜彦, International Workshop on Stat-Mech of Liquids, 2017年04月, 招待有り
  • OZ系積分方程式理論を用いた溶媒和の計算:ミセルへの応用へ向けて, 宮田 竜彦, 高分子学会九州支部フォーラム, 2017年03月, 招待有り
  • OZ理論における近似がLJ系の熱力学量に及ぼす影響, 宮田 竜彦, 研究会「分子を使った寄せ木細工」~自己組織化したソフトマテリアルが織りなす「かたち」と機能~, 2016年05月, 招待有り
  • LJ系の動径分布関数における立上がり領域の重要性:OZ 理論から求まる熱力学量の補正へ向けて, 宮田竜彦・江波戸佑来, 第38回溶液化学シンポジウム, 2015年10月
  • LJ系の動径分布関数において立ち上がり領域の位置が正確であることの重要性:OZ理論から求まる熱力学量の補正へ向けて, 宮田 竜彦, The 9th Mini-Symposium on Liquids (MSL2015), 2015年07月, 招待有り

MISC

  • Brownian dynamics simulation of self-diffusion of ionic large solute molecule in modeled polyelectrolyte gel, Tatsuhiko Miyata, Journal of the Physical Society of Japan, 81, 2012年01月, 00319015, 10.1143/JPSJS.81SA.SA010, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84866373874&origin=inward, We study the self-diffusion of an ionic large solute molecule in a polyelectrolyte gel by the Brownian dynamics simulation. The gel is modeled by a charged cage-like cubic lattice. We observe three time scales in the mean square displacement. The data of the long-time self-diffusion coefficient of ionic solute molecule are not collapsed into a universal curve when plotted against rather macroscopic structural parameters of the gel, whereas a plot of them against the barrier height observed in the free energy surface exhibit a universal curve. The analytical expression for the self-diffusion coefficient that is derived assuming a Smoluchowski process agrees excellently with the simulation results. © 2012 The Physical Society of Japan.

その他研究情報

受賞



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