畠山 望NOZOMU HATAKEYAMA

Last Updated :2024/01/15

所属・職名
デジタルものづくり教育研究センター 特任教授
メールアドレス
hatakehiroshima-u.ac.jp

基本情報

学位

  • 修士(理学) (東京大学)
  • 博士(理学) (東京大学)

研究活動

学術論文(★は代表的な論文)

  1. 量子分子動力学法と多孔質シミュレータによる固体高分子形燃料電池電極の理論設計, 電気化学および工業物理化学 : denki kagaku, 75巻, 5号, pp. 411-417, 20070505
  2. 大規模複雑系材料のための新規電気伝導度推算手法の開発と各種触媒材料への応用, 触媒 = Catalysts & Catalysis, 49巻, 2号, pp. 99-101, 20070310
  3. 液相系膜分離における計算化学の応用展開, 膜, 32巻, 2号, pp. 80-88, 20070301
  4. 固体高分子形燃料電池用プロトン伝導性電解質の計算化学, 膜, 32巻, 2号, pp. 89-94, 20070301
  5. Tight-binding 量子化学計算法による希土類青色蛍光体BaMgAl_<10>O_<17>:Eu^<2+>の電子状態の解明, 希土類 = Rare earths, 50号, pp. 72-73, 20070510
  6. シミュレーションによる材料設計技術, 化学工学 = CHEMICAL ENGINEERING OF JAPAN, 71巻, 8号, pp. 504-508, 20070805
  7. 大規模系反応シミュレーションを目的とした時間発展加速化分子動力学法の開発, 触媒 = Catalysts & Catalysis, 49巻, 6号, pp. 509-511, 20070905
  8. 産業革新のための実践的コンピュータ化学 : 触媒研究への応用, 触媒 = Catalysts & Catalysis, 50巻, 2号, pp. 169-170, 20080310
  9. 不規則性多孔体微細構造最適化のための三次元多孔質シミュレータPOCO^2の開発と応用, Journal of computer chemistry, Japan, 7巻, 2号, pp. 55-62, 20080615
  10. 複数成分を扱える自動車触媒の経時劣化特性シミュレータの開発と応用, 觸媒 = Catalyst, 50巻, 6号, pp. 499-501, 20080910
  11. 触媒表面ダイナミクス解析を目的とした超高速化量子分子動力学法の開発, 觸媒 = Catalyst, 50巻, 6号, pp. 571-573, 20080910
  12. 固体高分子形燃料電池触媒層に対するマルチスケール計算化学アプローチ, 伝熱 : journal of the Heat Transfer Society of Japan, 47巻, 201号, pp. 14-19, 20081001
  13. 東北大学 宮本研究室, トライボロジスト, 54巻, 8号, 20090815
  14. 三次元多孔質シミュレータの固体酸化物燃料電池燃料極微細構造最適化への応用と燃料極性能指数の提案, 觸媒 = Catalyst, 51巻, 6号, pp. 432-434, 20090910
  15. 触媒の劣化シミュレーション, 觸媒 = Catalyst, 52巻, 1号, pp. 8-14, 20100115
  16. 希土類元素含有複合酸化物担持貴金属触媒の開発とモデリング, 觸媒 = Catalyst, 52巻, 2号, pp. 68-70, 20100310
  17. 計算化学の応用展開, 膜, 34巻, 4号, pp. 212-219, 20090701
  18. 大規模量子化学計算手法によるPt担持触媒の相互作用評価, 觸媒 = Catalyst, 53巻, 2号, pp. 111-113, 20110310
  19. 量子化学が創る新しい化学工学, 化学工学 = Chemical engineering, 77巻, 6号, pp. 382-386, 20130605
  20. 量子分子動力学法による潤滑プロセスにおけるトライボケミカル反応の解明, トライボロジスト, 58巻, 9号, pp. 610-615, 20130915
  21. ストレイン渦のランダムな分布が与える統計法則 (渦度場のダイナミックスと乱流の数理), 数理解析研究所講究録, 1051号, pp. 146-155, 199806
  22. Random Strained-Vortices の統計法則(流れの非線形性と乱流の統計性質), 数理解析研究所講究録, 1029号, pp. 131-139, 199804
  23. プラズマディスプレイ用MgO保護膜の構造破壊ダイナミクスと理論設計, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 107巻, 245号, pp. 1-2, 20070927
  24. 分子動力学法によるMgOの力学的物性予測, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 107巻, 245号, pp. 3-4, 20070927
  25. 計算化学によるプラズマディスプレイ用MgO保護膜の電子放出特性の評価, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 107巻, 245号, pp. 5-6, 20070927
  26. 新規計算化学手法を用いたDLCの摩擦特性解析, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 107巻, 245号, pp. 7-8, 20070927
  27. マルチスケールトンネル電流シミュレータの開発, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 107巻, 245号, pp. 15-16, 20070927
  28. 量子分子動力学法によるダイヤモンドライクカーボン膜生成過程の検討, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 107巻, 245号, pp. 29-30, 20070927
  29. 色素増感型太陽電池のためのマルチスケールシミュレータの開発, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 107巻, 245号, pp. 39-40, 20070927
  30. ペロブスカイト型BaTiO_3の誘電特性解析のための超高速化量子分子動力学法の開発, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 35-36, 20081002
  31. 実験との融合を指向した計算化学手法による蛍光体の構造解析, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 33-34, 20081002
  32. 発光材料の構造とキャリア移動特性に関する計算化学的解析, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 31-32, 20081002
  33. 三次元多孔質構造に基づく色素増感TiO_2電極の電子移動シミュレーション, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 29-30, 20081002
  34. 超高速化量子分子動力学法に基づく構造解析・分光シミュレータの開発とシリコン半導体への応用, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 25-28, 20081002
  35. 計算化学によるプラズマディスプレイ用電極保護膜材料の二次電子放出特性評価, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 23-24, 20081002
  36. 計算化学手法によるダイヤモンドライクカーボン(DLC)の摩擦特性・微細構造の検討, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 19-20, 20081002
  37. マルチスケール配線寿命予測シミュレータの開発とCu配線への応用, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 108巻, 236号, pp. 17-18, 20081002
  38. ルミネッセンス計算化学による共役系高分子中のキャリア移動の解析, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 109巻, 257号, pp. 37-38, 20091022
  39. プラズマディスプレイ用電極保護膜の高性能化に向けた計算機シミュレーション, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 109巻, 257号, pp. 39-40, 20091022
  40. 量子化学計算とQSPR法とによるEu^<2+>付活蛍光体の発光ピーク波長予測, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 109巻, 257号, pp. 41-42, 20091022
  41. 自動化超高速化量子分子動力学法によるシリコン表面酸窒化シミュレーション, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 109巻, 257号, pp. 75-76, 20091022
  42. ルミネッセンス計算化学による高分子発光材料/陰極界面の電子移動解析, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 110巻, 241号, pp. 35-36, 20101014
  43. 材料情報学による母体結晶からのEu^<2+>付活蛍光体の発光特性予測, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 110巻, 241号, pp. 37-38, 20101014
  44. 計算化学によるSi/SiC量子ドット太陽電池におけるキャリアトラップの解析, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 110巻, 241号, pp. 39-40, 20101014
  45. 自動化超高速化量子分子動力学法の開発とシリコン酸化膜形成の反応解析への応用, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 110巻, 241号, pp. 67-68, 20101014
  46. 自動化超高速化量子分子動力学法によるシリコン表面のドライ・ウェットおよびラジカル酸化反応シミュレーション, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 110巻, 241号, pp. 69-70, 20101014
  47. 自動化超高速化量子分子動力学法の開発とシリコン表面のドライ・ウェットおよびラジカル酸化反応シミュレーション, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 110巻, 274号, pp. 41-43, 20101104
  48. AM05-23-001 一様流中の並列二角柱周りから発生する音波(騒音1,一般講演), 日本流体力学会年会講演論文集, 2005巻, 2005
  49. 実験融合マルチレベルコンピュータ化学手法の開発とシリコン材料・デバイスへの応用, 電子情報通信学会技術研究報告. SDM, シリコン材料・デバイス, 111巻, 249号, pp. 67-72, 20111013
  50. 渦対の形成過程の数値解析 (オイラー方程式の数理 : カルマン渦列と非定常渦運動100年 : RIMS研究集会報告集), 数理解析研究所講究録, 1776号, pp. 91-99, 201202
  51. スキー用ワックスの開発 : 秘伝と計算化学の融合(ヘッドライン:オリンピックを面白く躍進させた素材と化学), 化学と教育, 63巻, 11号, pp. 532-535, 2015
  52. 色素増感型太陽電池デバイスの量子論に基づくマルチスケールシミュレータの開発と応用, 日本化学会情報化学部会誌, 27巻, 5号, pp. 119-119, 2010
  53. マルチスケール計算化学に基づく汚れ付着シミュレーション技術の開発, Journal of Computer Chemistry, Japan, 15巻, 6号, pp. 221-222, 2016
  54. Rh担持CeO2(111), (110), (100)面における表面酸素の移動特性に関する理論的解明, 表面科学学術講演会要旨集, 33巻, 0号, 2013
  55. Rh-CeO2およびRh-ZrO2表面の酸素移動に関する量子化学的評価, 表面科学学術講演会要旨集, 34巻, 0号, 2014
  56. 携帯型高精度キネマティックGNSSを用いたクロスカントリースキーの運動解析, シンポジウム: スポーツ・アンド・ヒューマン・ダイナミクス講演論文集, 2017巻, 0号, pp. C-2, 2017
  57. 大規模量子化学計算による照明用蛍光体の電子状態解明, 照明学会 全国大会講演論文集, 41巻, 0号, pp. 114-114, 2008
  58. 排ガス再結合触媒の高度化開発:(2) 計算化学による水素再結合触媒のマルチレベルシミュレーション, 日本原子力学会 年会・大会予稿集, 2011巻, 0号, pp. 625-625, 2011
  59. 気体廃棄物処理系水素再結合触媒性能低下に関する検討:(3) 計算化学による水素再結合触媒シミュレーション, 日本原子力学会 年会・大会予稿集, 2010巻, 0号, pp. 504-504, 2010
  60. キネマティックGPSロガーの小型化と測位精度評価, シンポジウム: スポーツ・アンド・ヒューマン・ダイナミクス講演論文集, 2016巻, 0号, pp. A-13, 2016
  61. 雪の摩擦に伴うスキー滑走面の温度変化の高精度・高確度計測, 年次大会, 2018巻, 0号, 2018
  62. 高精度 GNSS を用いたクロスカントリースキーのレースコース計測, シンポジウム: スポーツ・アンド・ヒューマン・ダイナミクス講演論文集, 2018巻, 0号, pp. C-31, 2018
  63. 産業革新のための実践的計算化学:低炭素技術への応用, 応用物理, 83巻, 2号, pp. 116-120, 2014
  64. スキー用ワックスのトライボロジー, トライボロジスト, 64巻, 10号, pp. 614-619, 2019
  65. 高精度GNSSを用いたクロスカントリースキークラシカルレースにおけるダブルポール滑走中の頭部動作計測, シンポジウム: スポーツ・アンド・ヒューマン・ダイナミクス講演論文集, 2019巻, 0号, pp. A-12, 2019
  66. A Theoretical Study of Initial Deposition Processes of Mg on MgO: A Novel Quantum Chemical Molecular Dynamics Approach, JAPANESE JOURNAL OF APPLIED PHYSICS, 48巻, 4号, 2009
  67. Novel Method Based on Quantum Chemistry for Calculation of Ion Induced Secondary Electron Emission Coefficient of MgO Surfaces, JAPANESE JOURNAL OF APPLIED PHYSICS, 48巻, 4号, 2009
  68. Host emission from BaMgAl10O17 and SrMgAl10O17 phosphor: Effects of temperature and defect level, JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY, 18巻, 3号, pp. 211-222, 2010
  69. Quantum Chemistry Study of Surface Structure Effects on Secondary Electron Emission in MgO Protecting Layers for Plasma Displays, JAPANESE JOURNAL OF APPLIED PHYSICS, 49巻, 4号, 2010
  70. CO Oxidation and NO Reduction on a MgO(100) Supported Pd Cluster: A Quantum Chemical Molecular Dynamics Study, JOURNAL OF PHYSICAL CHEMISTRY C, 115巻, 49号, pp. 24123-24132, 2011
  71. Restoration of p53-DNA interaction loss upon R273H mutation by CP-31398: an ultra accelerated quantum chemical molecular dynamics approach, MEDICINAL CHEMISTRY RESEARCH, 21巻, 2号, pp. 239-244, 2012
  72. Assessment of the Antifouling Properties of Polyzwitterions from Free Energy Calculations by Molecular Dynamics Simulations, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 51巻, 11号, pp. 4458-4462, 2012
  73. Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation, JOURNAL OF PHYSICAL CHEMISTRY C, 116巻, 23号, pp. 12559-12565, 2012
  74. A Theoretical Design of Surface Modifiers for Suppression of Membrane Fouling: Potential of Poly(2-methoxyethylacrylate), JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 45巻, 8号, pp. 568-570, 2012
  75. Molecular dynamics simulations for microscopic behavior of water molecules in the vicinity of zwitterionic self-assembled monolayers, POLYMER JOURNAL, 44巻, 11号, pp. 1149-1153, 2012
  76. Evaluation for sintering of electrocatalysts and its effect on voltage drops in high-temperature proton exchange membrane fuel cells (HT-PEMFC), INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 37巻, 23号, pp. 18272-18289, 2012
  77. Quantum Chemical Molecular Dynamics Study of the Water-Gas Shift Reaction on a Pd/MgO(100) Catalyst Surface, JOURNAL OF PHYSICAL CHEMISTRY C, 117巻, 10号, pp. 5051-5066, 2013
  78. Anti-wear Chemistry of ZDDP and Calcium Borate Nano-additive. Coupling Experiments, Chemical Hardness Predictions, and MD Calculations, TRIBOLOGY LETTERS, 50巻, 1号, pp. 95-104, 2013
  79. Computational Chemistry Study on the Microscopic Interactions between Biomolecules and Hydrophilic Polymeric Materials, JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 46巻, 7号, pp. 421-423, 2013
  80. Theoretical assessment of emission efficiency of Eu2+-doped phosphors based on alkaline-earth network, JOURNAL OF CERAMIC PROCESSING RESEARCH, 14巻, pp. S48-S51, 2013
  81. A computational chemistry approach for friction reduction of automotive engines, INTERNATIONAL JOURNAL OF ENGINE RESEARCH, 15巻, 4号, pp. 399-405, 2014
  82. A New Approach for Error Reduction in the Volume Penalization Method, COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 16巻, 5号, pp. 1181-1200, 2014
  83. Theoretical investigation of the interactions in binding pocket of Reverse Transcriptase, SAUDI JOURNAL OF BIOLOGICAL SCIENCES, 22巻, 6号, pp. 719-724, 2015
  84. Interaction grand potential between calcium-silicate-hydrate nanoparticles at the molecular level, NANOSCALE, 8巻, 7号, pp. 4160-4172, 2016
  85. Temperature Dependence of Nanoconfined Water Properties: Application to Cementitious Materials, JOURNAL OF PHYSICAL CHEMISTRY C, 120巻, 21号, pp. 11465-11480, 2016
  86. Development of a method to lower recontamination after chemical decontamination by depositing Pt nano particles: (I) Consideration of the suppression mechanism using a quantum dynamics calculation, JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 53巻, 6号, pp. 831-841, 2016
  87. Development of a method to lower recontamination after chemical decontamination by depositing Pt nano particles: (II) consideration of the Pt effect on oxide composition, JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 54巻, 3号, pp. 312-321, 2017
  88. Graphene-based ordered framework with a diverse range of carbon polygons formed in zeolite nanochannels, CARBON, 129巻, pp. 854-862, 2018
  89. Surface reduction processes of cerium oxide surfaces by H-2 using ultra quantum chemical molecular dynamic study (vol 164, pg 9, 2011), CATALYSIS TODAY, 353巻, pp. 215-215, 2020
  90. Development and Application of Sintering Dynamics Simulation for Automotive Catalyst, TOPICS IN CATALYSIS, 52巻, 13-20号, pp. 1852-1855, 2009
  91. A Computational Chemistry Study on Friction of h-MoS2. Part I. Mechanism of Single Sheet Lubrication, JOURNAL OF PHYSICAL CHEMISTRY B, 113巻, 52号, pp. 16526-16536, 2009
  92. Applying ultra-accelerated quantum chemical molecular dynamics technique for the evaluation of ligand protein interactions, MEDICINAL CHEMISTRY RESEARCH, 19巻, 1号, pp. 1-10, 2010
  93. Quantum Chemistry Study on Absorption Spectra, Electronic and Electrical Properties of Organic Dye on Anatase(001), JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 10巻, 4号, pp. 2434-2443, 2010
  94. Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on Nascent Iron Surface: A Hybrid Quantum Chemical/Classical Molecular Dynamics Study, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 10巻, 4号, pp. 2495-2502, 2010
  95. Development of Computational Method for Analysis of Carrier Transfer in Light-Emitting Polymers, JAPANESE JOURNAL OF APPLIED PHYSICS, 49巻, 4号, 2010
  96. Modeling of Dye-Sensitized Solar Cells Based on TiO2 Electrode Structure Model, JAPANESE JOURNAL OF APPLIED PHYSICS, 49巻, 4号, 2010
  97. A Theoretical Study on Initial Processes of Li-Ion Transport at the Electrolyte/Cathode Interface: A Quantum Chemical Molecular Dynamics Approach, JAPANESE JOURNAL OF APPLIED PHYSICS, 49巻, 4号, 2010
  98. The effect of R249S carcinogenic and H168R-R249S suppressor mutations on p53-DNA interaction, a multi scale computational study, COMPUTERS IN BIOLOGY AND MEDICINE, 40巻, 5号, pp. 498-508, 2010
  99. Adsorption and dissociation of molecular hydrogen on Pt/CeO2 catalyst in the hydrogen spillover process: A quantum chemical molecular dynamics study, APPLIED SURFACE SCIENCE, 256巻, 24号, pp. 7643-7652, 2010
  100. Study of reduction processes over cerium oxide surfaces with atomic hydrogen using ultra accelerated quantum chemical molecular dynamics, APPLIED SURFACE SCIENCE, 257巻, 5号, pp. 1383-1389, 2010
  101. Porosity and Pt content in the catalyst layer of PEMFC: effects on diffusion and polarization characteristics, INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 5巻, 12号, pp. 1948-1961, 2010
  102. A Computational Chemistry Study on Friction of h-MoS2 Part II Friction Anisotropy, JOURNAL OF PHYSICAL CHEMISTRY B, 114巻, 48号, pp. 15832-15838, 2010
  103. Ionomer content in the catalyst layer of polymer electrolyte membrane fuel cell (PEMFC): Effects on diffusion and performance, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 36巻, 3号, pp. 2221-2229, 2011
  104. Surface reduction processes of cerium oxide surfaces by H-2 using ultra accelerated quantum chemical molecular dynamic study, CATALYSIS TODAY, 164巻, 1号, pp. 9-15, 2011
  105. Modeling of hydrogen vacancy for dissociative adsorption of H-2 on Pd (111) surface by a quantum chemical molecular dynamics, CATALYSIS TODAY, 164巻, 1号, pp. 16-22, 2011
  106. Computational Study on Carrier Injection in Ca/Poly(9,9 '-dioctylfluorene) Interface by Using Quantum Chemistry and Monte Carlo Methods, JAPANESE JOURNAL OF APPLIED PHYSICS, 50巻, 4号, 2011
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