水関 博志（みずせき ひろし）Dr. Hiroshi Mizuseki

English version is here.

連絡先：

〒980-8577　宮城県仙台市青葉区片平２-１-１

東北大学　金属材料研究所　計算材料学研究部門　准教授

Tel: 022-215-2054, Fax: 022-215-2052

[Please contact me for Reprint, Preprint etc.]

自己紹介

• 写真

  履歴書・業績リスト（水関博志）

• 論文発表リスト（水関博志）
• 著書リスト（水関博志）
• 特許関係リスト（水関博志）
• 受賞リスト（水関博志）
• 口頭発表リスト（水関博志）

  List of Publications[PDF] for Active Atom Wire Project (Slides)

  List of Publications[PDF] for Active Atom Wire Project (Figures)

• 研究歴
  • 平成７年３月　東北大学大学院工学研究科博士後期課程材料物性学専攻修了 　博士論文題目「中性子非弾性散乱によるアモルファスならびに準結晶合金の 低エネルギー原子運動に関する研究」
  • 平成　７年７月〜平成１７年３月　東北大学金属材料研究所　助手
  • 平成１７年４月〜平成１９年３月　東北大学金属材料研究所　助教授
  • 平成１９年４月〜現在　　　　　　東北大学金属材料研究所　准教授
  
  
• 主要研究テーマ

  「新しい情報処理プラットフォームのためのアクティブ原子配線網に関する研究」
  

  • 「分子デバイス素子の電気伝導性に関する研究」（水関博志）
  • 「第一原理計算による分子デバイスの設計」（水関博志）
  • 「導電性高分子配線の電気伝導シミュレーション研究」（水関博志）
  • 「階層的モデルに基づいた結晶成長過程のシミュレーション」（水関博志）
  • 「３次元磁性人工格子を用いた新しい超高密度記録媒体の研究」（水関博志）
  • 「液柱マランゴニ対流の発生メカニズムと安定性の研究」（水関博志） [WWW]
  • 「流体計算による最適単結晶作製条件の探索」（水関博志） [WWW]
  • 「モンテカルロ直接法を用いたクラスター成長過程の研究」（水関博志） [WWW]
  • 「授業」 [WWW]
  • 分子デバイス　単一分子デバイス　機能分子デバイス　超分子デバイス　分子エレクトロニクス
  • ナノテクノロジー 　ナノサイエンス　ナノテク　ナノデバイス　エマージングテクノロジー　DNA
  • 超微細技術　超微細加工技術　超微細組立技術　超微細デバイス　ナノ構造
  • 単一分子素子　単分子素子　ナノバイオ　ナノ医療　ナノメディスン　ナノセンシング
  • ナノワイヤー　ナノ素材　ナノプロセス　ナノメモリ　バイオナノ超分子センサー
  • 導電性超分子スイッチング素子　単一分子素子
  • 分子エレクトロニクス　原子エレクトロニクス　カーボンエレクトロニクス　スピンエレクトロニクス
  • 量子エレクトロニクス　分子スケール　分子コンピューター　自己組織化単分子膜
  • フラーレン　カーボンナノチューブ　ナノクラスター　金属クラスター　磁性クラスター
  • ナノマシン　分子マシン　分子機械　分子認識　ホスト−ゲスト錯体　包接化合物　整流作用
  • ポルフィリン　フタロシアニン　ナフタロシアニン　グラフェン　バイオミミックリー
  • 生体機能分子　アクティブターゲティング　バイオセンサー　DDS (drug delivery system)
  • ナノテクノロジー　ナノサイエンス　遺伝的アルゴリズム　サブナノ
  • 分子手術　モレキュラーサージェリー　ビスマス完全細線　ビスマス原子細線　ビスマス細線　Bi細線
  • アンチモン原子細線　アンチモン細線　Sb細線　ナノワイア　金属ナノワイヤー　量子細線
  • スピントロニクス　ドラッグデリバリー　DDS ナノ粒子　バイテク　光線力学的治療　ゲノム創薬
  • ナノコンタクト　コンダクタンス　有機薄膜デバイス　ITO　透明電極
  • マランゴニ対流　液柱　宇宙実験　微小重力　ハーフゾーン　希薄気体流れ
  • ナノ粒子　ナノシート　計算機マテリアルデザイン　クーロンブロッケード　グリーン関数法
  • 水素貯蔵材料　水素吸蔵材料　透明導電膜　リアルナノ　True Nano
  • ハイパフォーマンスコンピューテング(HPC)　スーパーコンピューター　スパコン
  • ケモインフォマティクス　化学情報学　計算科学　計算化学　計算物理化学
  • 2009.1.5
  
  
• 所属学会
  • Editorial Board : Fluid Dynamics & Materials Processing
    
  • 日本応用物理学会
    
  • 日本金属学会
    
  • ナノ学会
  • 日本物理学会
    
  • 日本磁気学会
    
  • 日本結晶成長学会
    
  • シクロデキストリン学会
    
  • 計算材料学ワーキンググループ - 次世代スーパーコンピュータプロジェクト
    
  • 水素貯蔵材料先端基盤研究事業　計算科学グループ
    
  • Materials Research Society(MRS)
    
  • European Materials Research Society(E-MRS)
    
  • The American Chemical Society(ACS)
    
  
  計算材料学研究部門（旧　合金設計制御工学研究部門）（川添研究室）
  金属材料研究所のホームページ
  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
  材料科学研究に便利なホームページのリスト
  スーパーコンピューティングシステム利用研究成果報告書
  計算材料学研究部門の論文PDF（パスワードが必要です。）
  

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  論文発表リスト(Right click if necessary)

  1. T. Wadayama, H. Mizuseki, and A. Hatta
  	In Situ Observation of Chemical Vapour-Deposited Titanium Oxide Films by
  	Double-Modulation Infrared Emission Spectromery;
  	Vib. Spectrosc., 2 (1991) 239-244.[PDF]
  
  
  2. K. Shibata, H. Mizuseki, J. L. Finney, and K. Suzuki
  	Correlated Atomic Motions in Pd79Si21 Alloy Glass Observed by Inelastic Pulsed Neutron Scattering
  	J. Non-Cryst. Solids, 150 (1992) 251-254.[PDF]
  
  
  3. K. Suzuki, K. Shibata, and H. Mizuseki
  	The Medium- and Short-Range Collective Atomic Motion in Pd-Si(Ge) Amorphous Alloys
  	J. Non-Cryst. Solids, 156-158 (1993) 58-62.[PDF]
  
  
  4. H. Mizuseki, K. Shibata, and K. Suzuki
  	An Interpretation of the Low Energy Excitations on Pd79Ge21 Alloy Glass
  	within the Soft-Potential Model
  	Physica B 213&214 (1995) 538-540.[PDF]
  
  
  5. K. Shibata, H. Mizuseki, An Pang Tsai, and K. Suzuki
  	Dynamical Properties of Icosahedral Quasicrystal and Glassy Al77Cu13V10:
  	A Comparative Study by Inelastic Neutron Scattering
  	Physica B 213&214 (1995) 573-575.[PDF]
  
  
  6. T. Otomo, M. Arai, K. Shibata, H. Mizuseki, and K. Suzuki
  	An Observation of the Structural Relaxation of a Ni40Pd40P20 Amorphous Alloy
  	by Neutron Inelastic Scattering
  	Physica B 213&214 (1995) 544-546.[PDF] 
  
  
  7. H. Mizuseki, M. Ishihara, X. Hu, Y. Kawazoe, and N. Ohta
  	Magnetic Multi-Valued Recording by New Magnetic Configurations 
  	in 2D and 3D Artificial Lattices
  	IEEE Trans. Magn., 32 (1996) 4335-4337.[PDF]
  
  
  8. H. Mizuseki, M. Ishihara, X. Hu, and Y. Kawazoe
  	Ultra-high Density Magnetic Recording Media Using 2D and 3D Magnetic Anisotropic Artificial Lattices
  	Sci. Rep. RITU A41 (1996) 149-152.
  
  
  9. H. Mizuseki, M. Ishihara, X. Hu, Y. Hashi, and Y. Kawazoe
  	Spin-Reorientation Transition in Superlattices by Large Scale Dynamic Simulation
  	Mater. Trans., JIM, 37 (1996) 478-481.[PDF]
  
  
  10. H. Mizuseki, K. Tanaka, K. Ohno, and Y. Kawazoe
  	A New Model for Crystal Growth under High Magnetic Field
  	-Effect of Environment in Diffusion-Limited Aggregation-
  	Sci. Rep. RITU A43 (1997) 55-59.
  
  
  11. R. Sahara, H. Mizuseki, K. Ohno, S. Uda, T. Fukuda, and Y. Kawazoe
  	A Monte Carlo Simulation Describing Melting Transition of Si-Type Structure in the 
  	Condensed Phase with BCC Lattice Model Including Many-Body Interactions
  	Sci. Rep. RITU A43 (1997) 23-28.
  
  
  12. M. Ishihara, H. Mizuseki,Y. Kawazoe, and N. Ohta
  	A Recording Process Simulation for Double-Layered Magneto-Optical Disk
  	IEEE Trans. Magn., 33 (1997) 4149-4151.[PDF]
  
  
  13. Y. Kawazoe, Z-Q. Li, J.-Z. Yu, H. Mizuseki, M. Ishihara, K. Tanaka, Y. Hashi, and N. Ohta
  	Unique Magnetic Properties of Microclusters and Their Application to Multi-Valued Magnetic Recording Media
  	J. Korean Phys. Soc. 31 (1997) 482-485.[PDF] [WWW]
  
  
  14. H. Mizuseki, K. Tanaka, K. Kikuchi, K. Ohno, and Y. Kawazoe
  	A New Model of DLA under High Magnetic Field
  	Comput. Mater. Sci. 10 (1998) 46-50.[PDF]
  
  
  15. H. Mizuseki, K. Kikuchi, K. Tanaka, M. Ishihara, and Y. Kawazoe
  	Modelling of Magnetic Multivalued Recording in Granular Materials
  	Jpn. J. Appl. Phys. 37 (1998) 2155-2158.[PDF]
  
  
  16. Z. Zeng, H. Mizuseki, K. Ichinoseki, Y. Kawazoe, and K. Higashino
  	Numerical Study of Dynamic Behavior of Melting Sample in Shear Cell under Microgravity 
  	Numerical Heat Transfer A, 34 (1998) 709-718.[PDF]
  
  
  17. Z. Zeng, H. Mizuseki, K. Higashino, and Y. Kawazoe
  	Direct Numerical Simulation of Oscillatory Marangoni Convection in Cylindrical Liquid Bridges 
  	J. Cryst. Growth, 204 (1999) 395-404.[PDF]
  
  
  18. R. Sahara, H. Mizuseki, K. Ohno, S. Uda, T. Fukuda, and Y. Kawazoe
  	Body-Centered-Cubic Lattice Model with Many-Body Interactions Representing 
  	the Melting Transition in Si
  	J. Chem. Phys., 110 (1999) 9608-9617.[PDF]
  
  
  19. H. Ichikawa, R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
  	Monte Carlo Simulation of Cu-Au Alloys on FCC Lattice with a Renormalized Potential
  	Mater. Trans., JIM, 40 (1999) 911-914.[PDF]
  
  
  20. R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
  	Site-Percolation Models Including Heterogeneous Particles on a Square Lattice
  	Mater. Trans., JIM, 40 (1999) 1314-1318.[PDF]
  
  
  21. M. Ishihara, H. Mizuseki, K. Ohno, and Y. Kawazoe
  	Multi-Valued Magnetic Recording Materials Predicted by Self-Organized Magnetization Dynamics
  	Mater. Trans., JIM, 40 (1999) 1319-1322.[PDF]
  
  
  22. Z. Zeng, H. Mizuseki, K. Ichinoseki, K. Higashino, and Y. Kawazoe
  	Marangoni Convection in Half-Zone Liquid Bridge
  	Mater. Trans., JIM, 40 (1999) 1331-1336.[PDF]
  
  
  23. H. Mizuseki and Y. Kawazoe
  	Simulation of Crystal Growth in Solution by Hybrid Modeling
  	Mater. Trans., JIM, 40 (1999) 1337-1341.[PDF]
  
  
  24. Z. Zeng, H. Mizuseki, K. Ichinoseki, Y. Kawazoe, and K. Higashino
  	Numerical Simulation of Convection Depth in Shear Cell under Microgravity 
  	Advances in Space Research, 24 (1999) 1321-1324.[PDF]
  
  
  25. R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
  	Weak Universality of a Site-percolation Model with Two Different Sizes of Particles on a Square Lattice
  	J. Phys. Soc. Jpn., 68 (1999) 3755-3758.[PDF]
  
  
  26. H. Mizuseki, K. Tanaka, K. Ohno, and Y. Kawazoe
  	A New Crystal Growth Model based on a Stochastic Method under an External Field
  	Modelling Simul. Mater. Sci. Eng., 8 (2000) 1-11.[PDF]
  
  
  27. H. Mizuseki and Y. Kawazoe
  	Simulation of Electrochemical Deposition Process by a Multiparticle Diffusive Aggregation Model 
  	J. Appl. Phys., 87 (2000) 4611-4616.[PDF]
  
  
  28. H. Mizuseki, Y. Jin, Y. Kawazoe, and Luc T. Wille
  	Growth Processes of Magnetic Clusters Studied by Direct Simulation Monte Carlo Method 
  	J. Appl. Phys., 87 (2000) 6561-6563.[PDF] [WWW]
  
  
  29. Z. Zeng, H. Mizuseki, K. Shimamura, T. Fukuda, Y. Kawazoe, and K. Higashino
  	Three-Dimensional Oscillatory Thermocapillary Convection in Liquid Bridge under Microgravity
  	International Journal of Heat and Mass Transfer, 44 (2001) 3765-3774.[PDF]
  
  
  30. Z. Zeng, H. Mizuseki, K. Shimamura, K. Higashino, T. Fukuda, and Y. Kawazoe
  	Marangoni Convection in Model of Floating Zone under Microgravity 
  	J. Cryst. Growth, 229 (2001) 601-604.[PDF]
  
  
  31. R. Sahara, H. Mizuseki, K. Ohno, H. Kubo, and Y. Kawazoe
  	Lattice Monte Carlo Simulation with a Renormalized Potential in Si
  	J. Cryst. Growth, 229 (2001) 610-614.[PDF]
  
  
  32. H. Mizuseki, K. Hongo, Y. Kawazoe, and Luc T. Wille
  	Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo Method 
  	Scripta Mater., 44 (2001) 1911-1914.[PDF]
  
  
  33. K. Hongo, H. Mizuseki, and Y. Kawazoe
  	A Monte Carlo Simulation on the Process of Cluster Deposition
  	Mater. Trans., 42 (2001) 439-442.[PDF]
  
  
  34. H. Mizuseki, Y. Jin, Y. Kawazoe, and Luc T. Wille
  	Cluster Growth Process by Direct Simulation Monte Carlo Method
  	Appl. Phys. A, 73 (2001) 731-735.[PDF]
  
  
  35. Y. Jin, H. Mizuseki, and Y. Kawazoe
  	Direct Simulation Monte Carlo for Cluster Growth Process in Rarefied Gas
  	Mater. Trans., 42 (2001) 2295-2298.[PDF]
  
  
  36. Z. Zeng, H. Mizuseki, K. Higashino, K. Shimamura, T. Fukuda, and Y. Kawazoe
  	Structure Similarity of Mixed Buoyancy-Thermocapillary Flow in Half-Zone Liquid Bridge
  	Mater. Trans., 42 (2001) 2322-2331.[PDF]
  
  
  37. J. Q. Lu, H. Chen, J. Wu, H. Mizuseki, and Y. Kawazoe
  	Ab Initio Modeling of Real Molecular Logic Devices
  	Mater. Trans., 42 (2001) 2270-2275.[PDF]
  
  
  38. C. Majumder, H. Mizuseki, and Y. Kawazoe
  	Bipyridinium Molecular Switch: Ab-initio Electronic Structure Calculation
  	Mater. Trans., 42 (2001) 2276-2278.[PDF]
  
  
  39. C. Majumder, H. Mizuseki, and Y. Kawazoe
  	Molecular Scale Rectifier: Theoretical Study
  	J. Phys. Chem. A, 105 (2001) 9454-9459.[PDF]
  
  
  40. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
  	Small Clusters of Tin: Atomic Structure, Energetics, and Fragmentation Behavior
  	Phys. Rev. B, 64 (2001) 233405.[PDF]
  
  
  41. K. Hongo, H. Mizuseki, Y. Kawazoe, and Luc T. Wille
  	Hybrid Model Simulation of the Cluster Deposition Process
  	J. Cryst. Growth, 236 (2002) 429-433.[PDF]
  
  
  42. Z. Zeng, H. Mizuseki, K. Shimamura, T. Fukuda, Y. Kawazoe, and K. Higashino
  	Usefulness of Experiments with Model Fluid for Thermocapillary Convection
  	-Effect of Prandtl Number on Two-dimensional Thermocapillary Convection-
  	J. Cryst. Growth, 234 (2002) 272-278.[PDF]
  
  
  43. R. V. Belosludov, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
  	Theoretical Study on Inclusion Complex of Polyaniline Covered by Cyclodextrins for Molecular Device
  	Jpn. J. Appl. Phys., 41 (2002) 2739-2741.[PDF]
  
  
  44. C. Majumder, H. Mizuseki, and Y. Kawazoe
  	Theoretical Analysis for a Molecular Resonant Tunneling Diode
  	Jpn. J. Appl. Phys., 41 (2002) 2770-2773.[PDF]
  
  
  45. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
  	Ionization Potentials of Small Tin Clusters: First Principles Calculations
  	Chem. Phys. Lett., 356 (2002) 36-42.[PDF]
  
  
  46. T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, D. A. Pawlak, K. Shimamura, and T. Fukuda
  	Band Structures of Perovskite-Like Fluorides for Vacuum-Ultraviolet-Transparent Lens Materials
  	Jpn. J. Appl. Phys., 41 (2002) L365-L367.[PDF]
  
  
  47. H. Mizuseki, K. Hongo, Y. Kawazoe, and Luc T. Wille
  	Multiscale Simulation of Cluster Growth and Deposition Processes by Hybrid Model based
  	on Direct Simulation Monte Carlo Method
  	Comput. Mater. Sci., 24 (2002) 88-92.[PDF]
  
  
  48. A. A. Farajian, K. Esfarjani, H. Mizuseki, and Y. Kawazoe
  	Electron-interaction Effects on Transport Characteristics of Nanotubes
  	Physica B, 323 (2002) 242-243.[PDF]
  
  
  49. C. Majumder, T. M. Briere, H. Mizuseki, and Y. Kawazoe
  	Structural Investigation of Thiophene Thiol Adsorption on Au-nanocluster: Influence of Back Bonds
  	J. Chem. Phys., 117 (2002) 2819-2822.[PDF]
  
  
  50. C. Majumder, T. M. Briere, H. Mizuseki, and Y. Kawazoe
  	Molecular Resistance in a Molecular Diode: A Case Study of the Substituted Phenylethynyl Oligomer 
  	J. Phys. Chem. A, 106 (2002) 7911-7914.[PDF]
  
  
  51. Y. Tai, J. Murakami, C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
  	Fragmentation of Small Tin Cluster Ions (Snx+:x=4-20) in the Low-Energy Collisions 
  	with a Highly Oriented Pyrolytic Graphite Surface
  	J. Chem. Phys., 117 (2002) 4317-4322.[PDF]
  
  
  52. C. Majumder, T. M. Briere, H. Mizuseki, and Y. Kawazoe
  	Interactions of a Conjugated Molecular Diode with Small Metal Clusters of Cu, Ag, and Au:
  	First-principles Calculations
  	J. Chem. Phys., 117 (2002) 7669-7675.[PDF]
  
  
  53. H. Chen, J. Q. Lu, J. Wu, R. Note, H. Mizuseki, and Y. Kawazoe
  	Control of Substituent Ligand over Current through Molecular Devices: An Ab Initio Molecular Orbital Theory
  	Phys. Rev. B, 67 (2003) 113408.[PDF]
  
  
  54. G.-H. Jeong, A. A. Farajian, T. Hirata, R. Hatakeyama, K. Tohji, T. M. Briere, H. Mizuseki, and Y. Kawazoe
  	Encapsulation of Cesium Inside Single-Walled Carbon Nanotubes by Plasma-ion Irradiation Method
  	Thin Solid Films, 435 (2003) 307-311. [PDF]
  
  
  55. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	Electronic Transport through Benzene Molecule: Effect of Gold Contacts
  	Physica E, 18 (2003) 253-254.[PDF]
  
  
  56. H. Mizuseki, K. Niimura, C. Majumder, and Y. Kawazoe
  	Theoretical Study of the Alkyl Derivative C37H50N4O4 Molecule 
  	for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
  	Comput. Mater. Sci., 27 (2003) 161-165.[PDF]
  
  
  57. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of Phthalocyanine - Fullerene Complex for a High Efficiency 
  	Photovoltaic Device Using Ab-Initio Electronic Structure Calculation
  	Synthetic Metals, 138 (2003) 281-283. [PDF]
  
  
  58. R. V. Belosludov, H. Sato, A. A. Farajian, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
  	Molecular Enamel Wires for Electronic Devices: Theoretical Study
  	Jpn. J. Appl. Phys., 42 (2003) 2492-2494. [PDF]
  
  
  59. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of Chlorin-Fullerene Supramolecular Complexes for Photovoltaic Devices
  	Jpn. J. Appl. Phys., 42 (2003) 2503-2505. [PDF]
  
  
  60. Z. Zeng, J. Q. Chen, H. Mizuseki, K. Shimamura, T. Fukuda, and Y. Kawazoe
  	Three-dimensional Oscillatory Convection of LiCaAlF6 Melts in Czochralski Crystal Growth
  	J. Cryst. Growth, 252 (2003) 538-549.[PDF]
  
  
  61. R. V. Belosludov, H. Sato, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Theoretical Study of Molecular Enamel Wire based on Polythiophene-Cyclodextrin Inclusion Complexes
  	Mol. Cryst. Liq. Cryst., 406 (2003) 195-204.[PDF]
  
  
  62. H. Mizuseki, K. Niimura, C. Majumder, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of Donor - Spacer - Acceptor Structure Molecule for Stable Molecular Rectifier
  	Mol. Cryst. Liq. Cryst., 406 (2003) 205-211.[PDF]
  
  
  63. J.-T. Wang, H. Mizuseki, Y. Kawazoe, T. Hashizume, M. Naitoh, D.-S. Wang, and E.-G. Wang
  	Stability of Sb Line Structures on Si(001)
  	Phys. Rev. B, 67 (2003) 193307.[PDF]
  
  
  64. R. V. Belosludov, H. Sato, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Theoretical Study of Insulated Wires based on Polymer Chains Encapsulated in Molecular Nanotubes
  	Thin Solid Films, 438-439 (2003) 80-84.[PDF]
  
  
  65. H. Mizuseki, N. Igarashi, C. Majumder, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of a Donor - Spacer - Acceptor Structure Molecule for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
  	Thin Solid Films, 438-439 (2003) 235-237.[PDF]
  
  
  66. A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe
  	Electronic Transport through Bent Carbon Nanotubes: Nanoelectromechanical Sensors and Switches
  	Phys. Rev. B, 67 (2003) 205423.[PDF]
  
  
  67. C. Majumder, H. Mizuseki, and Y. Kawazoe
  	Thiophene Thiol on the Au(111) Surface: Size-Dependent Adsorption Study
  	J. Chem. Phys., 118 (2003) 9809-9813.[PDF] [WWW]
  
  
  68. T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, D. A. Pawlak, K. Shimamura, N. Ichinose, and T. Fukuda
  	Ab Initio Study of Divalent 3d Transition Metal Impurities in KMgF3 and BaLiF3
  	Jpn. J. Appl. Phys., 42 (2003) 5082-5085.[PDF]
  
  
  69. G. -H. Jeong, A. A. Farajian, R. Hatakeyama, T. Hirata, T. Yaguchi, K. Tohji, H. Mizuseki, and Y. Kawazoe
  	Cesium Encapsulation in Single-walled Carbon Nanotubes via Plasma Ion Irradiation: Application to Junction Formation and Ab Initio Investigation
  	Phys. Rev. B, 68 (2003) 075410.[PDF]
  
  
  70. T. Nishimatsu, M. Sluiter, H. Mizuseki, Y. Kawazoe, Y. Sato, M. Miyata, and M. Uehara
  	Prediction of XPS Spectra of Silicon Self-interstitials with the All-electron Mixed-basis Method
  	Physics B 340-342 (2003) 570-574.[PDF]
  
  
  71. Y. Tai, J. Murakami, C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
  	Low-energy Surface Collision Induced Dissociation of Ge and Sn Cluster Ions
  	Euro. Phys. J. D 24 (2003) 295-298.[PDF] [WWW]
  
  
  72. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Genetic Algorithm Approach to Aromatic Molecules for Nanoscale Device
  	Mater. Sci. Eng., C, 23 (2003) 807-809. [PDF]
  
  
  73. Z. Zeng, J. Chen, H. Mizuseki, T. Fukuda, and Y. Kawazoe
  	Three-dimensional Unsteady Convection in LiCaAlF6-Czochralski Growth
  	J. Cryst. Growth, 266 (2004) 81-87.[PDF]
  
  
  74. R. V. Belosludov, A. A. Farajian, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
  	Electron Transport in Molecular Enamel Wires
  	Jpn. J. Appl. Phys., 43 (2004) 2061-2063.[PDF]
  
  
  75. R. Sahara, H. Ichikawa, H. Mizuseki, K. Ohno, H. Kubo, and Y. Kawazoe
  	Thermodynamic Properties of Cu-Au System using a Face-centered-cubic Lattice Model with a Renormalized Potential
  	J. Chem. Phys., 120 (2004) 9297-9301.[PDF] [WWW]
  
  
  76. S.-Y. Wang, J.-Z. Yu, H. Mizuseki, J.-A. Yan, Y. Kawazoe, and C.-Y. Wang
  	First-principles Study on the Electronic Structures of Icosahedral TiN (N = 13, 19, 43, 55) Clusters
  	J. Chem. Phys., 120 (2004) 8463-8468.[PDF] [WWW]
  
  
  77. Z. Zeng, J. Chen, H. Mizuseki, H. Sato, K. Shimamura, K. Ichinoseki, T. Fukuda, and Y. Kawazoe
  	Numerical Study on LiCaAlF6 Czochralski Crystal Growth
  	Mater. Trans., 45 (2004) 1515-1521.[PDF]
  
  
  78. Z. Zeng, H. Mizuseki, J. Chen, K. Ichinoseki, and Y. Kawazoe
  	Oscillatory Thermocapillary Convection in Liquid Bridge under Microgravity
  	Mater. Trans., 45 (2004) 1522-1527.[PDF]
  
  
  79. A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Electronic Transport Properties of a Metal-Semiconductor Carbon Nanotube Heterojunction
  	Physica E, 22 (2004) 675-678.[PDF]
  
  
  80. Y. Kikuchi, R. V. Belosludov, H. Baba, A. A. Farajian, H. Mizuseki, and Y. Kawazoe 
  	Structure and Electronic Properties of Metal Di-(4-thiophenyl)-porphyrin
  	Mol. Sim., 30 (2004) 929-933. [PDF] [WWW]
  
  
  81. H.-M. Weng, X.-P. Yang, J.-M. Dong, H. Mizuseki, M. Kawasaki, and Y. Kawazoe
  	Electronic Structure and Optical Properties of the Co-doped Anatase TiO2 Studied from First Principles
  	Phys. Rev. B, 69 (2004) 125219.[PDF]
  
  
  82. C. Majumder, H. Mizuseki, and Y. Kawazoe
  	Effect of Substituent Groups on the Electronic Properties of a Molecular Device: An Ab Initio Theoretical Study 
  	J. Mol. Struct. 681 (2004) 65-69.[PDF]
  
  
  83. W. W. Cheng, X. Y. Liao, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Electron Transport through Heterocyclic Molecule: Ab Initio Molecular Orbital Theory 
  	Phys. Lett. A 326 (2004) 412-416.[PDF]
  
  
  84. M. Khazaei, A. A. Farajian, G.-H. Jeong, H. Mizuseki, T. Hirata, R. Hatakeyama, and Y. Kawazoe
  	Dynamical Criteria for Cs Ion Insertion and Adsorption at Cap and Stem of Carbon Nanotubes: Ab Initio Study and Comparison with Experiment
  	J. Phys. Chem. B 108 (2004) 15529-15535.[PDF]
  
  
  85. Y. X. Liao, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Current-voltage Characteristics of Molecular Devices at Low Bias
  	Chinese Phys. Lett. 21 (2004) 1247-1250.[PDF]
  
  
  86. S.-Y. Wang, J.-Z. Yu, H. Mizuseki, Q. Sun, C.-Y. Wang, and Y. Kawazoe
  	Energetics and Local Spin Magnetic Moment of Single 3,4d Impurities Encapsulated in an Icosahedral Au12 Cage
  	Phys. Rev. B, 70 (2004) 165413.[PDF][WWW]
  
  
  87. T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki, and Y. Ikeda
  	Ab initio Determination of Total-Energy Surfaces for Distortions of Ferroelectric Perovskite Oxides
  	Jpn. J. Appl. Phys., 43 (2004) 6785-6792.[PDF][WWW]
  
  
  88. R. EL Ouenzerfi, S. Ono, A. Quema, M. Goto, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa, and T. Fukuda
  	Design Proposal of Light Emitting Diode in Vacuum Ultraviolet Based on Perovskite-Like Fluoride Crystals
  	Jpn. J. Appl. Phys., 43 (2004) L1140-L1143.[PDF][WWW]
  
  
  89. R. El Ouenzerfi, S. Ono, A. Quema, M. Goto, M. Sakai, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, H. Sato, D. Ehrentraut, A. Yoshikawa, and T. Fukuda
  	Design of Wide-gap Fluoride Heterostructures for Deep Ultraviolet Optical Devices
  	J. Appl. Phys., 96 (2004) 7655-7659.[PDF][WWW]
  
  
  90. W. W. Cheng, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Electron Transport through Molecular Wire: Effect of Isomery
  	Physica E 25 (2005) 643-646.[PDF][WWW]
  
  
  91. P. Murugan, R. V. Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki, and Y. Kawazoe
  	TiO2 (rutile) Doped with Double Impurities for Fabricating Spintronic Devices - a Combinatorial Computational Approach
  	Meas. Sci. Technol., 16 (2005) 242-247.[PDF][WWW]
  
  
  92. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
  	Atomic and Electronic Structures of Neutral and Cation Snn (n = 2-20) Clusters: 
  	A Comparative Theoretical Study with Different Exchange-correlation Functionals
  	Phys. Rev. B, 71 (2005) 035401.[PDF][WWW]
  
  
  93. R. V. Belosludov, A. A. Farajian, H. Baba, H. Mizuseki, and Y. Kawazoe
  	Electronic and Transport Properties of Doped Organic Molecules for Molecular Wire Applications
  	Jpn. J. Appl. Phys., 44 (2005) 2823-2825.[PDF] [WWW]
  
  
  94. J.-T. Wang, E. G. Wang, D. S. Wang, H. Mizuseki, Y. Kawazoe, M. Naitoh, and S. Nishigaki
  	Dynamic Ad-Dimer Twisting Assisted Nanowire Self-Assembly on Si(001)
  	Phys. Rev. Lett., 94 (2005) 226103.[PDF] [WWW]
  
  
  95. R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
  	Thermodynamic Properties of Transition Metals Using Face-Centered-Cubic Lattice Model with Renormalized Potentials
  	Mater. Trans., 46 (2005) 1127-1130.[PDF] [WWW]
  
  
  96. H. Mizuseki, R. V. Belosludov, A. A. Farajian, N. Igarashi, and Y. Kawazoe
  	Theoretical Study on Junctions in Porphyrin Oligomers for Nanoscale Devices
  	Mater. Sci. Eng., C, 25 (2005) 718-721.[PDF] [WWW]
  
  
  97. F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Ab Initio Study of Molecule Transport Characteristics based on Nonequilibrium Green's Function Theory
  	Phys. Rev. B, 72 (2005) 155408.[PDF] [WWW]
  
  
  98. M. Khazaei, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Ab Initio Study of Single-walled Nanotubes Bombarded with 50 - 150 eV Cs+ Ions
  	Chem. Phys. Lett., 415 (2005) 34-39.[PDF] [WWW]
  
  
  99. T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki, and Y. Ikeda
  	Ab Initio Study of Strain-Induced Ferroelectricity in SrTiO3
  	Jpn. J. Appl. Phys., 44 (2005) 7134-7140.[PDF] [WWW]
  
  
  100. S. Ono, R. El Ouenzerfi, A. Quema, H. Murakami, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa, and T. Fukuda
  	Band-Structure Design of Fluoride Complex Materials for Deep-Ultraviolet Light-Emitting Diodes
  	Jpn. J. Appl. Phys., 44 (2005) 7285-7290.[PDF] [WWW]
  
  
  101. O. V. Pupysheva, A. A. Farajian, H. Nejo, H. Mizuseki, and Y. Kawazoe
  	Interaction of Single-Walled Carbon Nanotubes with Alkylamines: An ab initio Study
  	Thin Solid Films, 499 (2006) 256-258.[PDF] [WWW]
  
  
  102. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	A General-Purpose Approach for Calculating Transport in Contact-Molecule-Contact Systems: TARABORD Implementation and Application to a Polythiophene-Based Nanodevice
  	Thin Solid Films, 499 (2006) 269-274.[PDF] [WWW]
  
  
  103. R. V. Belosludov, A. A. Farajian, Y. Kikuchi, H. Mizuseki, and Y. Kawazoe
  	Realization of Molecular Interconnection for Molecular Electronics: Theoretical Aspects
  	Comput. Mater. Sci., 36 (2006) 130-134.[PDF] [WWW]
  
  
  104. J.-T. Wang, D.-S. Wang, E.-G. Wang, H. Mizuseki, Y. Kawazoe, M. Naitoh, and S. Nishigaki
  	Dynamic Formation Process of Bi Line Structure on Si(100) Surface
  	Comput. Mater. Sci., 36 (2006) 135-138.[PDF] [WWW]
  
  
  105. M. Khazaei, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Cs Doping Effects on Electronic Structure of Thin Nanotubes
  	Comput. Mater. Sci., 36 (2006) 152-158.[PDF] [WWW]
  
  
  106. T. Uehara, R. V. Belosludov, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Electronic and Transport Properties of Ferrocene: Theoretical Study
  	Jpn. J. Appl. Phys., 45 (2006) 3768-3771.[PDF] [WWW]
  
  
  107. P. Murugan, R. V. Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki, and Y. Kawazoe
  	Electronic and Magnetic Properties of Double-impurities-doped TiO2 (rutile): First-Principles Calculations
  	J. Appl. Phys., 99 (2006) 08M105.[PDF] [WWW]
  
  
  108. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, and Y. Kawazoe
  	Terahertz Vibrational Modes of Crystalline Salicylic Acid by Numerical Model using Periodic Density Functional Theory
  	Jpn. J. Appl. Phys., 45 (2006) 4170-4175.[PDF] [WWW]
  
  
  109. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
  	Terahertz Phonon Modes of an Intermolecular Network of Hydrogen Bonds in an Anhydrous b-D-Glucopyranose Crystal
  	Chem. Phys. Lett., 423 (2006) 439-444.[PDF] [WWW]
  
  
  110. J.-T. Wang, C. Chen, E. G. Wang, D.-S. Wang, H. Mizuseki, and Y. Kawazoe
  	Two-Stage Rotation Mechanism for Group-V Precursor Dissociation on Si(001)
  	Phys. Rev. Lett., 97 (2006) 046103.[PDF] [WWW]
  
  
  111. 上原朋樹、五十嵐伸昭、R.V.Belosludov、A.A.Farajian、水関博志、川添良幸
  	第一原理計算によるメタロセン分子の導電性評価
  	日本金属学会誌　第７０巻　第６号　(2006) 478-482. [PDF] [WWW]
  
  
  112. 岡　利昭、水関博志、川添良幸
  	Pt-M合金（M＝Ru, Sn）上におけるCO酸化に関する活性化エネルギーの評価
  	日本金属学会誌　第７０巻　第６号　(2006) 495-499. [PDF] [WWW]
  
  
  113. O. V. Pupysheva, A. V. Dmitriev, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Transition between N- and Z-shaped Current-voltage Characteristics in Semiconductor Multiple-quantum-well Structures
  	J. Appl. Phys., 100 (2006) 033718.[PDF] [WWW]
  
  
  114. F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Self-consistent Study of Single Molecular Transistor Modulated by Transverse Field
  	J. Chem. Phys., 125 (2006) 084710.[PDF] [WWW]
  
  
  115. T. M. Inerbaev, R. V. Belosludov, H. Mizuseki, M. Takahashi, and Y. Kawazoe
  	First Excited State Properties and Static Hyperpolarizability of Ruthenium(II) Ammine Complexes
  	J. Chem. Theory and Comput., 2 (2006) 1325-1334.[PDF] [WWW]
  
  
  116. F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	First-principles Study of Phenyl Ethylene Oligomers as Current-switch
  	Phys. Lett. A 359 (2006) 487-493. [PDF]
  
  
  117. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
  	First-principles Calculations of the Far-infrared Absorption Spectrum of 4'-dimethylamino-N-methyl-4-stilbazolium Tosylate
  	Chem. Phys. Lett. 432 (2006) 157-162. [PDF] [WWW]
  
  
  118. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
  	First Principles Calculation of Terahertz Vibrational Modes of a Disaccharide Monohydrate Crystal of Lactose
  	Jpn. J. Appl. Phys., 45 (2006) L1156-L1158. [PDF] [WWW]
  
  
  119. J.-T. Wang, D.-S. Wang, C. Chen, O. Nashima, T. Kanomata, H. Mizuseki, and Y. Kawazoe
  	Vacancy Induced Structural and Magnetic Transition in MnCo1-xGe
  	Appl. Phys. Lett. 89 (2006) 262504. [PDF] [WWW]
  
  
  120. T. M. Inerbaev, S. Saito, R. V. Belosludov, H. Mizuseki, M. Takahashi, and Y. Kawazoe
  	Excited State Properties and Quadratic Optical Nonlinearities in Charged Organic Chromophores: Theoretical Analysis
  	J. Chem. Phys. 125 (2006) 234702. [PDF] [WWW]
  
  
  121. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
  	Surface and Bulklike Phonon Modes of Si(100) Nanometer Thin Film
  	Chem. Phys. Lett. 433 (2006) 86-90. [PDF] [WWW]
  
  
  122. Sang Uck Lee, Young-Kyu Han, H. Mizuseki, and Y. Kawazoe
  	Interpreting STM Image and Tunneling-current-induced Rotation of cis-2-butene on a Pd(110) Surface
  	Chem. Phys. Lett. 435 (2007) 90-95. [PDF] [WWW]
  
  
  123. T. M. Inerbaev, R. Sahara, H. Mizuseki, Y. Kawazoe, and T. Nakamura
  	Interstitial Oxygen and Dopant Atoms Arrangement in Tin-Doped Indium Oxide
  	Mater. Trans., 48 (2007) 666-669. [PDF] [WWW]
  
  
  124. R. V. Belosludov, A. A. Farajian, H. Mizuseki, K. Miki, and Y. Kawazoe
  	Electronic and Transport Properties of Bismuth Nanolines for Applications in Molecular Electronics
  	Phys. Rev. B, 75 (2007) 113411. [PDF] [WWW]
  
  
  125. Y. X. Zhou, F. Jiang, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Quantum Length Dependence of Conductance in Oligomers: First-principles Calculations
  	Phys. Rev. B, 75 (2007) 245407. [PDF] [WWW]
  
  
  126. J. F. Ye, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Excess Polarizabilities Upon Excitation from the Ground State to the First Dipole-allowed Excited State of Diphenylpolyenes
  	Int. J. Quantum Chem., 107 (2007) 2006-2014. [PDF] [WWW]
  
  
  127. T. Oka, H. Mizuseki, and Y. Kawazoe
  	CO Oxidation Process on Pt-M(111) Alloys (M=Ru, Sn): An ab initio Study
  	Mater. Trans., 48 (2007) 1907-1912. [PDF] [WWW]
  
  
  128. A. A. Farajian, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, T. Hashizume, and B. I. Yakobson
  	Gate-induced Switching and Negative Differential Resistance in a Single-Molecule Transistor: Emergence of Fixed and Shifting States with Molecular Length
  	J. Chem. Phys. 127 (2007) 024901. [PDF] [WWW]
  
  
  129. N. Sarukura, H. Murakami, E. Estacio, S. Ono, R. El Ouenzerfi, M. Cadatal, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa, and T. Fukuda
  	Proposed Design Principle of Fluoride-based Materials for Deep Ultraviolet Light Emitting Devices
  	Optical Materials 30 (2007) 15-17. [PDF] [WWW]
  
  
  130. Y. Y. Liang, F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Ab Initio Study of Single-Molecule Rotation Switch based on Nonequilibrium Green's Function Theory
  	J. Chem. Phys. 127 (2007) 084107. [PDF] [WWW]
  
  
  131. Sang Uck Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	Control of Electron Transport by Manipulating the Conjugated Framework
  	J. Phys. Chem. C. 111 (2007) 15397-15403. [PDF] [WWW]
  
  
  132. V. N. Nemykin, R. G. Hadt, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	Influence of Molecular Geometry, Exchange-Correlation Functional, and Solvent Effects in the Modeling of Vertical Excitation Energies in Phthalocyanines Using Time-Dependent Density Functional Theory (TDDFT) and Polarized Continuum Model TDDFT Methods: Can Modern Computational Chemistry Methods Explain Experimental Controversies?
  	J. Phys. Chem. A. 111 (2007) 12901-12913. [PDF] [WWW]
  
  
  133. Y. X. Zhou, F. Jiang, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	First-principles Study of Length Dependence of Conductance in Alkanedithiols
  	J. Chem. Phys. 128 (2008) 044704. [PDF] [WWW]
  
  
  134. E. Estacio, S. Saito, T. Nakazato, Y. Furukawa, N. Sarukura, M. Cadatal, M. H. Pham, C. Ponseca, Jr., H. Mizuseki, and Y. Kawazoe
  	Birefringence of b-BaB2O4 Crystal in the Terahertz Region for Parametric Device Design
  	Appl. Phys. Lett. 92 (2008) 262504. [PDF] [WWW]
  
  
  135. H. Mizuseki, R. V. Belosludov, T. Uehara, S. U. Lee, and Y. Kawazoe
  	Transport Properties of Nanoscale Materials for Molecular Wire Applications: A Case Study of Ferrocene Dimers
  	J. Korean Phys. Soc. 52 (2008) 1197-1201.
  
  
  136. R. Sahara, H. Mizuseki, Y. Kawazoe, and K. Ohno
  	Temperature Dependence of the Bulk Modulus in fcc Metals by Using a Lattice-gas Model with Renormalized Potentials
  	J. Korean Phys. Soc. 52 (2008) 1259-1263.
  
  
  137. Y. Y. Liang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Current through Single Conjugated Molecules: Calculations Versus Measurements
  	J. Chem. Phys. 129 (2008) 024901. [PDF] [WWW]
  
  
  138. S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	The Role of Aromaticity and the p-Conjugated Framework in Multiporphyrinic Systems as Single-Molecule Switches
  	Small 4 (2008) 962-969. [PDF] [WWW]
  
  
  139. J.-T. Wang, C. Chen, E. G. Wang, D.-S. Wang, H. Mizuseki, and Y. Kawazoe
  	Effect of Strain on the Energetics and Kinetics of Dissociation of Sb4 on Ge(001)
  	Phys. Rev. B, 78 (2008) 073403. [PDF] [WWW]
  
  
  140. J. F. Ye, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
  	Excess Polarizabilities upon the First Dipole-Allowed Excitation of Some Conjugated Oligomers
  	J. Phys. Org. Chem. 21 (2008) 789-796. [PDF] [WWW]
  
  
  141. R. V. Belosludov, O. S. Subbotin, H. Mizuseki, P. M. Rodger, Y. Kawazoe, and V. R. Belosludov
  	Crystal-like Low Frequency Phonons in the Low-density Amorphous and High-density Amorphous Ices
  	J. Chem. Phys. 129 (2008) 114507. [PDF] [WWW]
  
  
  142. A. Suvita, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, M. Takeda, M. Kohno, and N. Ohuchi
  	TD-DFT Studies on Hematoporphyrin and Its Dimers
  	Mater. Trans., 49 (2008) 2416-2419. [PDF] [WWW]
  
  
  143. Sang Uck Lee, Y.-K. Han, C. Majumder, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	Structural Dependence of Magnetic Shielding Properties in Al4Li4 Clusters
  	Mater. Trans., 49 (2008) 2429-2436. [PDF] [WWW]
  
  
  144. C. Chen, Z. Zeng, H. Mizuseki, and Y. Kawazoe
  	Thermocapillary Convection of Liquid Bridge under Axisymmetric Magnetic Fields
  	Mater. Trans., 49 (2008) 2566-2571. [PDF] [WWW]
  
  
  145. N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
  	Hydrogen Adsorption on Lithium-Functionalized Calixarenes: A Computational Study
  	J. Phys. Chem. C. 112 (2008) 19676-19679. [PDF] [WWW----]
  
  
  

  レビュー論文、学会解説記事、その他上記以外の公表印刷物等

  1. K. Suzuki, T. Fukunaga, K. Shibata, T. Otomo, and H. Mizuseki
  	Short- and Medium-Range Structure Characteristics of Amorphous Alloys
  	Thermodynamics of Alloy Formation, pp.125-142, 
  	Edited by Y. A. Chang and F. Sommer, The Minerals,
  	Metals and Materials Society, 1997.
  
  
  2. H. Mizuseki, M. Ishihara, X. Hu, Y. Kawazoe, and N. Ohta
  	Magnetic Multi-Valued Magneto-Optical Recording Using Magnetic Anisotropic Artificial Lattices
  	J. Magn. Soc. Jpn., 20 (1996) Suppl. No. S1, p. 255-258.
  
  
  3. 一関京子、水関博志、川添良幸、東野和幸、阿部孝志
  	「シア・セル内の流体解析　−　切断された液柱の流れのシミュレーション　−」
  	SENAC 29 (1996) 37-46.
  
  
  4. 川添良幸、水関博志、八重樫育生
  	「並列計算機は実際に超大規模計算に役立つのか？」
  	Is Parallel Computer Really Applicable to Large Scale Computation? (in Japanese)
  	bit 29 (1997) 85-93.
  
  
  5. H. Mizuseki, K. Esfarjani, Z.-Q. Li, K. Ohno, Y. Akiyama, K. Ichinoseki, and Y. Kawazoe
  	Efficiency of Parallel Machine for Large-Scale Simulation in Computational Physics
  	Lecture Notes in Computer Science, 1336, High Performance Computing, pp.381-388
  	Edited by K. Joe, K. Araki, and M. Amamiya, Springer-Verlag, 1997.
  
  
  6. H. Mizuseki, R. Sahara, Z.-Q. Li, K. Ohno, and Y. Kawazoe
  	Program Tuning for Large-Scale Simulations in Computational Materials Science
  	Advances in Materials Research, 1, 
  	Mesoscopic Dynamics of Fracture, Computational Materials Design, pp.239-248
  	Edited by H. Kitagawa, T. Aihara, Jr. and Y. Kawazoe, 
  	Springer-Verlag, 1998.
  
  
  7. M. Ishihara, H. Mizuseki, K. Ohno, and Y. Kawazoe
  	Self-Organized Magnetic Recording System
  	J. Magn. Soc. Jpn., 20 (1999) 667-669.
  
  
  8. H. Mizuseki, Y. Jin, J.-Z. Yu, and Y. Kawazoe
  	Cluster Growth in Cluster Beam Deposition Process by Direct Simulation Monte Carlo
  	J. Magn. Soc. Jpn., 20 (1999) Suppl. No. S1, p. 103-106.
  
  
  9. Z. Zeng, H. Mizuseki, K. Higashino, and Y. Kawazoe
  	Numerical Simulation of Oscillatory Thermocapillary Convection in Liquid Bridge
  	Proceedings of the Society of Photo-optical Instrumentation Engineers, 3792, 
  	Materials Research in Low Gravity II, pp.353-362
  	Edited by N. Ramachandran, Proceedings of SPIE, 1999.
  
  
  10. 水関博志
  	「オンラインジャーナル」
  	まてりあ 第38巻  (1999) 15-17.
  
  
  11. 川添良幸、水関博志
  	「あるスパコンの一生」
  	Life of a Supercomputer (in Japanese)
  	bit 33 (2001) 39-46.
  
  
  12. H. Mizuseki and Y. Kawazoe
  	What Useful Properties Clusters Have!
  	- Magic Behavior and Application to Magnetic Multi-valued Recording
  	Institute of Pure and Applied Physics Conference Series, 3 (2001) 150-153.
  
  
  13. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
  	Geometric and Electronic Structures of Neutral and Charged Tin Clusters (n=2-13)
  	Institute of Pure and Applied Physics Conference Series, 3 (2001) 154-157.
  
  
  14. A. A. Farajian, K. Esfarjani, H. Mizuseki, and Y. Kawazoe
  	Transport through Dimerized Ga and As Atomic Wires Deposited on Si(100) Substrate
  	Institute of Pure and Applied Physics Conference Series, 3 (2001) 172-174.
  
  
  15. H. Mizuseki, N. Igarashi, C. Majumder, R. V. Belosludov, A. A. Farajian, J.-T. Wang, H. Chen, and Y. Kawazoe
  	Simulation Study on Geometric and Electronic Structure of Photovoltaic Molecules
  	Organic and Polymeric Materials and Devices - Optical, Electrical and Optoelectronic Properties, pp.199-203, 
  	Edited by G. E. Jabbour, S. A. Carter, J. Kido, S.-T. Lee, and N. S. Sariciftci, Materials Research Society Symposium Proceedings Vol. 725.[PDF]
  
  
  16. Z. Zeng, J. Q. Chen, H. Mizuseki, T. Shishido, K. Ichinoseki, and Y. Kawazoe
  	Marangoni Convection in the LiCaAlF6 Crystal Growth by the Czochralski Technique
  	J. Thermal Science, 11 (2002) 348-351.
  
  
  17.  佐藤博之, Rodion V. Belosludov, Amir A. Farajian, H. Mizuseki, 川添良幸
  	「分子デバイス用被覆導線安定構造と電子状態」
  	2003年ハイパフォーマンスコンピューティングと計算科学シンポジウム論文集
  	IPSJ Symposium Series Vol. 2003, No.4 pp.117-120
  
  
  18. 下村武史、伊藤耕三、水関博志、R. V. Belosludov、A. A. Farajian、H. Chen、川添良幸
  	導電性ポリマーとシクロデキストリンによるナノテクノロジー用被覆導線実現
  	ナノ学会会報　第１巻　第２号　(2003) 67-71.
  
  
  19. H. Mizuseki, R. V. Belosludov, A. A. Farajian, N. Igarashi, J.-T. Wang, H. Chen, C. Majumder, S. Miura, and Y. Kawazoe
  	Molecular Orbital Analysis of Frontier Orbitals for Molecular Electronics: 
  	A Case Study of Unimolecular Rectifier and Photovoltaic Cell
  	Sci. Technol. Adv. Mater., 4 (2003) 377-382.
  
  
  20. A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe
  	Nanoswitch based on Nanotubes: Bent-nanotubes Transport
  	Int. J. Nanoscience, 3 (2004) 131-136.
  
  
  21. 橋詰富博、藤森正成、平家誠嗣、石橋政義、下村武史、伊藤耕三、寺田康彦、三木一司、奈良　純、大野隆央、水関博志、川添良幸
  	走査プローブ微細加工法による極微細電極の調整と高分子ナノワイヤの電気伝導度測定
  	ナノ学会会報　第３巻　第１号　(2004) 29-34.
  
  
  22. 川添良幸、水関博志
  	第一原理シミュレーション計算による次世代デバイス設計
  	応用物理　第７４巻　第８号　(2005) 1033-1038. [WWW]
  
  
  23. 川添良幸、水関博志
  	スパコンを活用した第一原理計算によるナノスケール構造体設計
  	SEMI News, 22 (2006) 20-21.[WWW]
  
  
  24. Y. Kawazoe, H. Mizuseki, R. V. Belosludov, and A. A. Farajian
  	Electron Transport in Nanostructured Systems - Ab initio Study,
  	in Handbook of Theoretical and Computational Nanotechnology, Volume 10: pp.211-238,
  	Nanodevice Modeling and Nanoelectronics, 
  	Edited by M. Rieth and W. Schommers, American Scientific Publishers, 2006.
  
  
  25. A. A. Farajian, R. V. Belosludov, O. V. Pupysheva, H. Mizuseki, and Y. Kawazoe
  	Calculating Transport Properties of Nanometer-scale Systems: Nanodevice Applications of Carbon Nanotubes and Organic Molecules, pp.215-248, 
  	in Nanostructures - Fabrication and Analysis, 
  	Edited by H. Nejo, Springer-Verlag, Berlin, 2007.
  
  
  26. 水関博志、川添良幸
  	分子デバイスに向けた有機分子/金属界面設計
  	MATERIALS INTEGRATION（マテリアル インテグレーション）20 (2007) 49-54.[WWW]
  
  
  27. Z. Zeng, H. Mizuseki, and Y. Kawazoe
  	Oscillatory Convection of LiCaAlF6 Melt in Czochralski Model, pp.39-56, 
  	in Studies on Flow Instabilities in Bulk Crystal Growth, 
  	Edited by Alexander Gelfgat, Transworld Research Network, 2007.
  
  
  28. 川添良幸、水関博志、佐原亮二
  	第一原理シミュレーション計算の概要と代替材料開発への適用, pp.221-229
  	in レアメタルの代替材料とリサイクル　監修・原田幸明、中村崇　シーエムシー出版　(2008).
  
  
  29. Y. Kawazoe, M. Sluiter, H. Mizuseki, K. Ichinoseki, A. Jain, K. Ohno, S. Ishii, H. Adachi, and H. Yamaguchi
  	Realization of a Computer Simulation Environment Based on ITBL and a Large Scale GW Calculation Performed on This Platform,
  	Lecture Notes in Computer Science, 4759, High Performance Computing, pp.427-433
  	Edited by J. Labarta, K. Joe, and T. Sato, Springer-Verlag, 2008.
  
  
  30. R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe,
  	Thermodynamic Properties of Materials Using Lattice-Gas Models with Renormalized Potentials,
  	Advances in Materials Research, 9, 
  	Nano- and Micromaterials, pp.275-290
  	Edited by K. Ohno, M. Tanaka, J. Takeda, and Y. Kawazoe, Springer-Verlag, 2008.
  
  
  

  特許関係

  特許
  番号：特開平９−２５９４２７、
  「多値記録媒体及びその記録再生方法」、
  特許権者：日立マクセル株式会社、
  発明者：今井 奨、太田 憲雄、石原 正仁、水関 博志、胡 暁、川添 良幸、
  出願日：平成８年３月１９日、
  公開日：平成９年１０月３日
  
  番号：特開２０００−３４７０２５、
  「遺伝的アルゴリズムを用いた多層膜フィルタの製造方法」、
  特許権者：アルプス電気株式会社、発明者：菊池 俊宏、染野 義博、平井 敏雄、川添 良幸、水関 博志、
  出願日：平成１１年９月２７日、
  公開日：平成１２年１２月１５日
  
  United States Patent: 6,542,876
  Method for producing multilayered optical filters using a genetic algorithm and a method for operating the genetic algorithm
  Inventors: Toshihiro Kikuchi, Yoshihiro Someno, Toshio Hirai, Yoshiyuki Kawazoe, Hiroshi Mizuseki
  Assignee: Alps Electric Co., Ltd.
  Appl. No.: 535297
  Filed: March 24, 2000
  
  Patent: EP1092992
  A Method for Producing Multilayered Optical Filters, Comprising a Method for Operating a Genetic Algorithm
  Publication: 2001-04-18
  Applicant: Alps Electric Co., Ltd.
  Inventors: Yoshiyuki Kawazoe, Toshihiro Kikuchi, Toshio Hirai, Hiroshi Mizuseki, Yoshihiro Someno
  

  受賞

  平成　９年　６月　５日　HITACユーザ研究会　一般論文優良賞
  「超大規模シミュレーション計算における並列計算機の可能性」
  
  平成１２年１１月　６日　（財）金属研究助成会　第４０回原田研究奨励賞
  「多値記録方式による磁性媒体の理論的基礎研究」
  
  平成１４年１２月１１日　（財）青葉工学振興会　第８回研究奨励賞
  「モンテカルロ直接法によるクラスター成長過程に関する研究」
  
  平成１６年１２月　３日　（財）素材工学研究会　第２回素材工学研究奨励賞
  「シミュレーションによる分子デバイス用材料の設計開発」
  
  平成１９年　７月２６日　日立ITユーザ研究会　一般論文優秀賞
  「ITBL活用スーパーコンピューター広域連携シミュレーション環境構築とナノテクノロジー用超大規模計算実行」
  
  

  口頭発表リスト

  1. 水関 博志、柴田 薫、鈴木 謙爾
  	中性子散乱によるPd79Ge21非晶質合金の低振動数原子振動の研究
  	日本物理学会１９９１年秋の分科会（北海道大学、札幌）１９９１年９月
  
  
  2. K. Shibata, H. Mizuseki, and K. Suzuki
  	A Neutron Scattering Study of Low-Energy Modes and Medium-Range Correlated Motions
  	in Pd79Ge21 Alloy Glass
  	Fifth International Conference on the Structure of Non-Crystalline Materials;
  	 NCM5 （仙台） １９９１年９月
  
  
  3. 水関 博志、柴田 薫、鈴木 謙爾
  	中性子散乱によるPd79Ge21非晶質合金の低振動数原子振動の研究II
  	日本物理学会１９９２年秋の分科会（東京大学、東京）１９９２年９月
  
  
  4. K. Shibata, H. Mizuseki, and K. Suzuki
  	Low-Energy Modes and Medium-Range Correlated Motions in Pd79Ge21 Alloy Glass
  	The Fifth International Symposium on Advanced Nuclear Energy Research
  	JAERI（水戸）１９９３年３月
  
  
  5. 水関 博志、柴田 薫、蔡 安邦、鈴木 謙爾、増本 健
  	Al-Cu系準結晶の低エネルギー原子運動の研究
  	日本物理学会１９９３年秋の分科会（岡山大学、岡山）１９９３年１０月
  
  
  6. 水関 博志、柴田 薫、蔡 安邦、鈴木 謙爾、増本 健
  	Al-Cu系準結晶の低エネルギー励起モード
  	第２回中性子シンポジウム（高エネルギー物理学研究所、つくば）１９９３年１２月
  
  
  7. 水関 博志、柴田 薫、蔡 安邦、鈴木 謙爾、増本 健
  	Al-Cu系準結晶の低エネルギー原子運動の研究 II
  	日本物理学会第４９回年会（福岡工業大学、福岡）１９９４年３月
  
  
  8. 水関 博志、柴田 薫、蔡 安邦、鈴木 謙爾、増本 健
  	中性子回折によるAl-Cu系準結晶中のフェイゾン歪の評価
  	日本物理学会１９９４年秋の分科会（静岡大学、静岡）１９９４年９月
  
  
  9. H. Mizuseki, K. Shibata, and K. Suzuki
  	An Interpretation of the Low Energy Excitations on Pd79Ge21 Alloy Glass within
  	the Soft-Potential Model
  	International Conference on Neutron Scattering (ICNS '94)
  	Sendai International Center, Sendai, October 1994
  
  
  10. H. Mizuseki, M. Ishihara, X. Hu, Y. Hashi, and Y. Kawazoe
  	Spin-Reorientation Transition in Superlattices by Large Scale Dynamic Simulation
  	The 117th Meeting of JIM (Honolulu, USA, December 13-15, 1995)
  
  
  11. H. Mizuseki, M. Ishihara, X. Hu, Y. Kawazoe, and N. Ohta
  	Magnetic Multi-Valued Recording by New Magnetic Configurations 
  	in 2D and 3D Artificial Lattices
  	INTERMAG'96 (Seattle, WA, USA, April 9-12, 1996)
  
  
  12. H. Mizuseki, M. Ishihara, X. Hu, Y. Kawazoe, and N. Ohta
  	Magnetic Multi-Valued Magneto-Optical Recording Using Magnetic Anisotropic Artificial 
  	Lattices
  	MORIS'96 (Noordwijkerhout, The Netherlands, April 29-May 2, 1996)
  
  
  13. 水関博志、田中一美、胡暁、大野かおる、川添良幸
  	DLA成長における外乱の効果
  	日本金属学会１９９６年春期大会（千葉工業大学、習志野）１９９６年３月
  
  
  14. 水関博志、田中一美、菊池圭子、一関京子、大野かおる、川添良幸
  	重力の影響を考慮した凝固過程のシミュレーション
  	日本金属学会１９９６年秋期大会（北海道大学、札幌）１９９６年９月
  
  
  15. 水関博志、菊池圭子、田中一美、大野かおる、川添良幸
  	結晶成長における外乱の効果
  	日本金属学会１９９６年秋期大会（北海道大学、札幌）１９９６年９月
  
  
  16. 水関博志、田中一美、菊池圭子、大野かおる、川添良幸
  	外乱が存在する場合のDLA成長シミュレーション
  	日本物理学会第５２回年会（名城大学、名古屋）１９９７年３月
  
  
  17. H. Mizuseki, K. Tanaka, K. Kikuchi, K. Ohno, and Y. Kawazoe
  	A New Model of DLA under High Magnetic Field
  	International Conference on Advanced Materials '97 / The European Materials Research Society'97
  	(Strasbourg, France, June 16-20, 1997.)
  
  
  18. H. Mizuseki and Y. Kawazoe (Invited)
  	Modelling of Multi-Valued Magneto-Optical Recording in 3D Artificial Lattices
  	International Symposium on High Density Magnetic Recording Medium
  	(Shanghai, China, June 22-24, 1997.)
  
  
  19. H. Mizuseki, K. Kikuchi, K. Tanaka, M. Ishihara, and Y. Kawazoe
  	Modelling of Multi-Valued Magneto-Optical Recording in Granular Materials
  	Magneto-Optical Recording International Symposium 
  	& International Symposium on Optical Memory '97 (Joint MORIS/ISOM'97),
  	(Yamagata, Japan, October 27-31, 1997.)
  
  
  20. H. Mizuseki, K. Esfarjani, Z.-Q. Li, K. Ohno, Y. Akiyama, K. Ichinoseki, and Y. Kawazoe
  	Efficiency of Parallel Machine for Large-Scale Simulation in Computational Physics
  	International Symposium on High Performance Computing'97, ISHPC'97
  	(Fukuoka, Japan, November 4-6, 1997.)
  
  
  21. 水関博志、吉川彰、島村清史、福田承生、川添良幸
  	共晶体の組織形成の環境依存性の研究
  	日本金属学会１９９８年春期大会（工学院大学、東京）１９９８年３月
  
  
  22. 水関博志、川添良幸
  	ハイブリッドモデルによる結晶成長のシミュレーション研究
  	日本金属学会１９９８年秋期大会（愛媛大学、松山）１９９８年９月
  
  
  23. H. Mizuseki, Y, Jin, J.-Z. Yu, and Y. Kawazoe
  	Cluster Growth in Cluster Beam Deposition Process by Direct Simulation Monte Carlo
  	Magneto-Optical Recording International Symposium '99 (MORIS'99),
  	(Monterey, California, USA, January 10-13, 1999.)
  
  
  24. 水関博志、Y. Jin、余京智、川添良幸
  	モンテカルロ直接法によるクラスター成長のシミュレーション研究
  	日本金属学会１９９９年春期大会（東京工業大学、東京）１９９９年３月
  
  
  25. H. Mizuseki, Y. Jin, Y. Kawazoe, and Luc T. Wille
  	Magnetic Cluster Growth Processes by Direct Simulation Monte Carlo Method
  	44th MMM (Magnetism & Magnetic Materials),
  	(San Jose, California, USA, November 15-18, 1999.)
  
  
  26. 水関博志、川添良幸、Luc T. Wille
  	モンテカルロ直接法によるクラスター成長のシミュレーション研究
  	第４回超微粒子・クラスター懇談会（仙台）２０００年５月
  
  
  27. H. Mizuseki, K. Hongo, Y. Kawazoe, and Luc T. Wille
  	Nano-scale Cluster Growth and Deposition Process by Direct Simulation Monte Carlo Method
  	International Symposium on Research and Education in the 21st Century (ISRE2000),
  	(Sendai, Japan, August 18-19, 2000.)
  
  
  28. H. Mizuseki, K. Hongo, Y. Kawazoe, and Luc T. Wille
  	Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo Method
  	Fifth International Conference on Nanostructured Materials (NANO2000),
  	(Sendai, Japan, August 20-25, 2000.)
  
  
  29. 水関博志、本郷研太、川添良幸
  	モンテカルロ直接法によるクラスター堆積過程のシミュレーション研究
  	日本金属学会２０００年秋期大会（名古屋大学、名古屋）２０００年９月
  
  
  30. Rodion V. Belosludov, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
  	Simulation Study on Polyaniline Covered with Cyclodextrins for Molecular Device
  	4th International Symposium on InterMaterials (IMA4),
  	(Osaka, Japan, Feb. 6-7, 2001.)
  
  
  31. 水関博志, Chiranjib Majumder, Hao Chen, Jian Wu, Keivan Esfarjani, 西松毅, Vijay Kumar, 川添良幸
  	導電性高分子配線の電気伝導シミュレーション研究
  	日本物理学会第５６回年会（中央大学、東京）２００１年３月
  
  
  32. H. Mizuseki, K. Hongo, Y. Kawazoe, and Luc T. Wille
  	Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo Method
  	The European Materials Research Society'01 (E-MRS)
  	(Strasbourg, France, June 5-8, 2001.)
  
  
  33. 水関博志, Chiranjib Majumder, Rodion V. Belosludov, Amir Farajian, Jian-Tao Wang, Hao Chen, 川添良幸
  	導電性高分子配線の電気伝導シミュレーション研究
  	日本応用物理学会秋季講演会（愛知工業大学、豊田市）２００１年９月
  
  
  34. 王建涛、水関博志、川添良幸
  	Si(001)表面にあるBiダイマーラインの構造及び電子的性質
  	日本金属学会２００１年秋期大会（九州産業大学、福岡）２００１年９月
  
  
  35. H. Mizuseki, K. Hongo, Y. Kawazoe, and Luc T. Wille
  	Multiscale Modeling on Cluster Deposited Thin Film
  	Annual APS March Meeting 2002, March 18-22, 2002
  
  
  36. H. Chen, J. Q. Lu, J. Wu, 野手竜之介, 水関博志, 川添良幸
  	第一原理分子軌道法によるベンゼンの導電性評価
  	日本応用物理学会春季講演会（東海大学、平塚市）２００２年３月
  
  
  37. 水関博志、五十嵐伸昭、Rodion V. Belosludov, Amir Farajian、川添良幸
  	第一原理計算によるフラーレンを用いた分子太陽電池の評価
  	日本応用物理学会春季講演会（東海大学、平塚市）２００２年３月
  
  
  38. Chiranjib Majumder、水関博志、川添良幸
  	第一原理計算によるAu(111)表面へのチオフェン分子吸着の解明
  	日本応用物理学会春季講演会（東海大学、平塚市）２００２年３月
  
  
  39. H. Mizuseki, K. Hongo, Y. Kawazoe, and Luc T. Wille
  	Hybrid Model Simulation on Cluster Growth and Deposition Processes
  	MRS Spring 2002, April 1-5 San Francisco, California.
  
  
  40. H. Mizuseki, C. Majumder, R. V. Belosludov, A. Farajian, J.-T. Wang, H. Chen, and Y. Kawazoe
  	Simulation Study on Structure and Electrical Conductivity of Aromatic Molecules for Nanoscale Device
  	MRS Spring 2002, April 1-5 San Francisco, California.
  
  
  41. Chiranjib Majumder、水関博志、川添良幸
  	第一原理計算によるAu(111)表面へのチオフェン分子吸着の解明
  	超微粒子とクラスター懇談会第６回研究会・ 第２回つくば地区合同フォーラム　-クラスター・超微粒子・ナノ構造- 合同シンポジウム　２００２年５月
  
  
  42. 水関博志、五十嵐伸昭、Rodion V. Belosludov, Amir A. Farajian、川添良幸
  	第一原理計算によるフラーレンを含む超分子太陽電池の評価
  	超微粒子とクラスター懇談会第６回研究会・ 第２回つくば地区合同フォーラム　-クラスター・超微粒子・ナノ構造- 合同シンポジウム　２００２年５月
  
  
  43. H. Mizuseki, K. Niimura, C. Majumder, and Y. Kawazoe
  	Theoretical Study of the Alkyl Derivative C37H50N4O4 Molecule for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
  	The European Materials Research Society'02 (E-MRS)
  	(Strasbourg, France, June 18 - 21, 2002.)
  
  
  44. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of Phthalocyanine - Fullerene Complex for a High Efficiency Photovoltaic Device Using Ab-Initio Electronic Structure Calculation
  	The European Materials Research Society'02 (E-MRS)
  	(Strasbourg, France, June 18 - 21, 2002.)
  
  
  45. H. Mizuseki (Invited)
  	Theoretical Study of Organic Molecule - Fullerene Mixture for a High Efficiency Photovoltaic Device
  	Shanghai International Nanotechnology Cooperation Symposium(SINCS) 2002
  	30 June - 1 August 2002, Shanghai, China
  
  
  46. R. V. Belosludov,H. Mizuseki, H. Sato, A. A. Farajian, and Y. Kawazoe
  	Isolated Molecular Wire based on Conducting Polymer Chain Encapsulated in Molecular Nanotube
  	Shanghai International Nanotechnology Cooperation Symposium(SINCS) 2002
  	30 June - 1 August 2002, Shanghai, China
  
  
  47. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study on Chlorin-Fullerene Supramolecular Complex for Photovoltaic Device
  	International Conference on Solid State Devices and Materials (SSDM2002)
  	(Nagoya, September 17-19, 2002.)
  
  
  48. Amir A. Farajian, Rodion V. Belosludov、水関博志、川添良幸
  	Benzene-1,4-dithiolateの導電特性計算：金電極接続の効果
  	日本応用物理学会秋季講演会（新潟大学、新潟市）２００２年９月
  
  
  49. H. Mizuseki, K. Niimura, C. Majumder, and Y. Kawazoe
  	Theoretical Study of a Donor - Spacer - Acceptor Structure Molecule for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
  	5th International Conference on Nano-Molecular Electronics (ICNME 2002)
  	(Kobe, December 10-12, 2002.)
  
  
  50. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of p-Conjugated Molecule - Fullerene Mixture for a High Efficiency Photovoltaic Device
  	6th Engineering Foundation Conference on Molecular-Scale Electronics
  	(Key West, Florida, USA, December 15-19, 2002.)
  
  
  51. H. Mizuseki, K. Niimura, C. Majumder, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of Donor - Spacer - Acceptor Structure Molecule for Stable Molecular Rectifier
  	2003 Nanotechnology Conference and Trade Show, NanoTech2003
  	(San Francisco, California, U.S.A., February 23-27, 2003.)
  
  
  52. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Organic Molecule - Fullerene Mixture for a High Efficiency Photovoltaic Device: Theoretical Study
  	2003 Nanotechnology Conference and Trade Show, NanoTech2003
  	(San Francisco , California, U.S.A., February 23-27, 2003.)
  
  
  53. A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe
  	Nano-sensors based on Nanotubes: Deformed Nanotubes Transport
  	2003 Nanotechnology Conference and Trade Show, NanoTech2003
  	(San Francisco, California, U.S.A., February 23-27, 2003.)
  
  
  54. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	Effects of Gold Contacts on Transport through Benzene Molecule
  	2003 Nanotechnology Conference and Trade Show, NanoTech2003
  	(San Francisco, California, U.S.A., February 23-27, 2003.)
  
  
  55. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study on Metal Porphyrin Chain for Use as a Nanoscale Device
  	(Austin, Annual APS March Meeting 2003, March 3-7, 2003.)
  
  
  56. H. Mizuseki, K. Niimura, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study of Donor - Spacer - Acceptor Structure Molecule for Molecular Rectifier
  	(Austin, Annual APS March Meeting 2003, March 3-7, 2003.)
  
  
  57. A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe
  	Nano-sensors based on Nanotubes: Deformed Nanotubes Transport
  	(Austin, Annual APS March Meeting 2003, March 3-7, 2003.)
  
  
  58. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
  	Effects of Gold Contacts on Transport through Benzene Molecule
  	(Austin, Annual APS March Meeting 2003, March 3-7, 2003.)
  
  
  59. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, C. Majumder, and Y. Kawazoe
  	Theoretical Study on Junction of Metal Porphyrin for Use as a Nanoscale Device
  	MRS Spring 2003
  	(San Francisco, California, U.S.A., April 21-25, 2003.)
  
  
  60. 水関博志、五十嵐伸昭、菊地良幸、R. V. Belosludov, A. A. Farajian, H. Chen, 川添良幸
  	第一原理計算と遺伝的アルゴリズムによるナノスケールデバイス設計
  	ナノ学会第１回大会　神戸大学　２００３年５月２９−３１日
  
  
  61. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Genetic Algorithm Approach on Aromatic Molecules for Nanoscale Device
  	The European Materials Research Society'03 (E-MRS)
  	(Strasbourg, France, June 10-13, 2003.)
  
  
  62. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study on Junctions in Porphyrin Chains for Nanoscale Devices
  	The European Materials Research Society'03 (E-MRS)
  	(Strasbourg, France, June 10-13, 2003.)
  
  
  63. 水関博志、Rodion V. Belosludov, Amir A. Farajian、川添良幸
  	分子デバイス用シクロデキストリン−ポリチオフェン分子被覆導線の構造と電子状態 III
  	日本応用物理学会秋季講演会（福岡大学、福岡市）２００３年９月
  
  
  64. 水関博志、Rodion V. Belosludov、Amir A. Farajian、Hao Chen、五十嵐伸昭、川添良幸
  	第一原理計算による分子デバイス設計
  	日本金属学会２００３年秋期大会（北海道大学、札幌）２００３年１０月
  
  
  65. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Genetic Algorithm Approach to Nanoscale Devices: A Case Study of Molecular Wire
  	Nanoscience and Nanotechnology on Quantum Particles, NNQP2003, December 15-17, 2003 Tokyo, Japan
  
  
  66. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Genetic Algorithm Approach to Functional Molecules for Nanoscale Devices
  	Joint Conference of International Conference of Molecular Simulation (ICMS) and Computational Science Workshop 2004 (CSW2004), 
  	January 13-15, 2004, Tsukuba, Japan
  
  
  67. H. Mizuseki (Invited)
  	Theoretical Study of Molecular Electronics: A Case Study of Unimolecular Rectifier using Porphyrin Polymer
  	IEEE Nanoscale Devices & System Integration, IEEE-NDSI, February 15-19, 2004, Miami, USA
  
  
  68. 水関博志、Rodion V. Belosludov、Amir A. Farajian、川添良幸
  	第一原理計算による分子デバイス設計
  	第２回ナノテクノロジー総合シンポジウム　JAPAN NANO 2004（東京ビックサイト、東京）２００４年３月
  
  
  69. Rodion V. Belosludov、Amir A. Farajian、水関博志、川添良幸
  	第一原理計算による分子被覆導線の電子状態と電気伝導特性
  	日本応用物理学会春季講演会（東京工科大学、八王子）２００４年３月
  
  
  70. 水関博志、菊地良幸、馬場英年、五十嵐伸昭、Rodion V. Belosludov、Amir A. Farajian、川添良幸
  	第一原理計算によるポルフィリン分子の電気伝導性の検討
  	日本金属学会２００４年春期大会（東京工業大学、東京）２００４年３月
  
  
  71. 水関博志、馬場英年、五十嵐伸昭、Rodion V. Belosludov、Amir A. Farajian、Olga V. Pupysheva、川添良幸
  	第一原理計算による分子デバイス設計 II
  	日本金属学会２００４年春期大会（東京工業大学、東京）２００４年３月
  
  
  72. 水関博志、五十嵐伸昭、Rodion V. Belosludov、Amir A. Farajian、Olga V. Pupysheva、川添良幸
  	第一原理計算および遺伝的アルゴリズムによる分子デバイス用材料の高速設計
  	ナノ学会第２回大会　東京　２００４年５月９−１１日
  
  
  73. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Genetic Algorithm Approach for Nanoscale Conducting Wires
  	The European Materials Research Society'04 (E-MRS) (Strasbourg, France, May 24 - 29, 2004.)
  
  
  74. H. Mizuseki, H. Baba, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Approach for Supramolecular Devices based on Phthalocyanine Dimer
  	The European Materials Research Society'04 (E-MRS) (Strasbourg, France, May 24 - 29, 2004.)
  
  
  75. H. Mizuseki, Y. Kikuchi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Study on Junction of Metal Porphyrin Oligomer for Molecular Nanoelectronics
  	The European Materials Research Society'04 (E-MRS) (Strasbourg, France, May 24 - 29, 2004.)
  
  
  76. A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Electronic Transport through Bent Carbon Nanotube Heterojunction for Nano-Sensors
  	The European Materials Research Society'04 (E-MRS) (Strasbourg, France, May 24 - 29, 2004.)
  
  
  77. R. V. Belosludov, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
  	Theoretical Study of Supramolecular Enamel Wire based on Cyclodextrin and Conducting Polymer
  	The European Materials Research Society'04 (E-MRS) (Strasbourg, France, May 24 - 29, 2004.)
  
  
  78. H. Mizuseki and Y. Kawazoe (Invited)
  	Advanced Ab Initio Simulations Applied to Nanotechnology
  	The 3rd International Conference on Computational Modeling and Simulation of Materials (CIMTEC)
  	May 30 - June 4, 2004, Acireale (CT) Italy
  
  
  79. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Ultra-fast Designing of Functional Materials for Molecular Devices by First Principles and Genetic Algorithm Approaches
  	The Second Conference of the Asian Consortium for Computational Materials Science (ACCMS-2) (Novosibirsk, Russia, July 14-16, 2004)
  
  
  80. R. V. Belosludov、A. A. Farajian、水関博志、川添良幸
  	第一原理計算による分子被覆導線の電気伝導特性
  	日本応用物理学会秋季講演会（東北学院大学、仙台）２００４年９月
  
  
  81. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Genetic Algorithm Approach to Functional Molecules for Nanoscale Devices
  	International Conference on Solid State Devices and Materials (SSDM2004)
  	(Tokyo, September 15-17, 2004.)
  
  
  82. 水関博志、馬場英年、五十嵐伸昭、Rodion V. Belosludov、Amir A. Farajian、川添良幸
  	第一原理計算によるπ共役系分子の電気伝導性
  	日本金属学会２００４年秋期大会（秋田大学、秋田）２００４年９月
  
  
  83. 水関博志、馬場英年、五十嵐伸昭、Rodion V. Belosludov、Amir A. Farajian、Olga V. Pupysheva、川添良幸
  	第一原理計算によるナノデバイス設計
  	日本金属学会２００４年秋期大会（秋田大学、秋田）２００４年９月
  
  
  84. H. Mizuseki, H. Baba, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Approach for Transport Properties of Molecular Electronics based on Binuclear Phthalocyanine
  	Transport Phenomena in Micro and Nanodevices, October 17-21, 2004, Kona Coast, Island of Hawaii, USA.
  
  
  85. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Evolutionary Approach to Functional Oligomers for Nanoscale Devices
  	1st Conference on Advanced Nanotechnology: Research, Applications, and Policy, Oct. 22-24, 2004, Washington, DC, USA.
  
  
  86. H. Mizuseki (Invited)
  	Combinatorial Approach on Organic Molecules for Nanoscale Devices
  	2nd International Symposium on Combinatorial Computational Chemistry
  	(Tohoku University, Sendai, Japan, November 20, 2004)
  
  
  87. Y. Kawazoe and H. Mizuseki (Invited)
  	Quantum Mechanical Computations to be able to Predict New Materials in Nanotechnology
  	MRS Fall 2004
  	(Boston, MA, U.S.A., November 29 - December 3, 2004.)
  
  
  88. H. Mizuseki, H. Baba, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Electronic Structure and Transport Properties of Molecular Electronics based on Binuclear Phthalocyanine
  	6th International Conference on Nano-Molecular Electronics (ICNME 2004)
  	 (Kobe, December 15-17, 2004.)
  
  
  89. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Theoretical Approach for Transport Properties of Porphyrin and Phthalocyanine Oligomers
  	7th Engineering Foundation Conference on Molecular-Scale Electronics
  	(San Diego, California, USA, January 23-26, 2005.)
  
  
  90.水関博志、馬場英年、上原朋樹、五十嵐伸昭、Rodion V. Belosludov、Amir A. Farajian、Olga V. Pupysheva、川添良幸
  	第一原理計算によるナノデバイス用材料の導電性評価
  	日本金属学会２００５年春期大会（横浜国立大学、横浜）２００５年３月
  
  
  91. Rodion V. Belosludov、Amir A. Farajian、水関博志、川添良幸
  	第一原理計算による分子被覆導線のドーピング効果の検討
  	日本応用物理学会春季講演会（埼玉大学、大宮）２００５年３月
  
  
  92. H. Mizuseki and Y. Kawazoe (Invited)
  	Current Status of Nano-simulation in Japan
  	The 5th Korea-Japan Science and Technology Forum, Seoul, Korea, April 26-28, 2005.
  
  
  93. H. Mizuseki (Invited)
  	Prediction of Nanoscale Materials by First Principles Calculations
  	International Workshop in Computational Materials Science, Lanzhou University, Lanzhou, China, May 23-25, 2005.
  
  
  94.H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Evolutionary Approach on Organic Molecules for Nanoscale Devices
  	The 5th International Conference on Intelligent Processing and Manufacturing of Materials, IPMMﾕ05, Monterey, California, USA, July 19 - 23, 2005
  
  
  95. F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, Y. Kawazoe
  	Self-consistent Calculations of Transport through a Molecular Wire as an Open System
  	The 5th International Conference on Intelligent Processing and Manufacturing of Materials, IPMMﾕ05, Monterey, California, USA, July 19 - 23, 2005
  
  
  96. H. Mizuseki and Y. Kawazoe
  	Current Status of Computational Materials Science for Molecular Devices
  	The Second China, Japan, and Korea Symposium on Materials Science, August 9-13, 2005, Taiyuan, China
  
  
  97. H. Mizuseki and Y. Kawazoe
  	Current Status of Computational Materials Science: Nanoelectronics and Computer Facilities
  	GIST/KAIST/Kyoto University/Tohoku University Joint Symposium on Advanced Materials, August 18-20, 2005, Gwangju, Korea
  
  
  98. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe (Invited)
  	Prediction of Nanoscale Materials by First Principles Calculations
  	The Third Asian Consortium for Computational Materials Science (ACCMS-3), (Beijing, China, September 8-11, 2005)
  
  
  99. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe
  	Prediction of Electronic Transport Properties through Nanoscale Materials by First Principles Calculations
  	13th Foresight Conference on Advanced Nanotechnology, October 22 - 27, 2005, San Francisco, USA.
  
  
  100. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, and Y. Kawazoe
  	Prediction of Molecular Devices by First Principles Calculations
  	International Congress of Nanotechnology (ICNT) 2005, October 31- November 4, 2005, San Francisco, USA.
  
  
  101. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, T. Uehara, N. Igarashi, and Y. Kawazoe
  	Prediction of Transport Properties through Molecular Devices by First Principles Calculations
  	MRS Fall 2005 (Boston, MA, U.S.A., November 28 - December 2, 2005.)
  
  
  102. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe
  	Electronic Transport Properties through Nanoscale Materials by First Principles Calculations
  	MRS Spring 2006
  	(San Francisco, California, U.S.A., April 17 - 21, 2006.)
  
  
  103. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, and Y. Kawazoe
  	Transport Properties through Individual Molecules by First Principles Calculations and Nonequilibrium Green's Function Formalism
  	2006 Nanotechnology Conference and Trade Show, NanoTech2006
  	(Boston, Massachusetts, USA, May 7-11, 2006.)
  
  
  104. H. Mizuseki, R. V. Belosludov, A. A. Farajian, T. Uehara, and Y. Kawazoe
  	Transport Properties through Ferrocene Molecules by First-principles Calculations and Nonequilibrium Green's Function Formalism
  	Atomistix 2006 Workshop [WWW]
  	2006 Nanotechnology Conference and Trade Show, NanoTech2006
  	(Boston, Massachusetts, USA, May 7-11, 2006.)
  
  
  105. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe
  	Electronic Transport Properties through Molecular Wires by First Principles Calculations
  	The European Materials Research Society'06 (E-MRS)
  	(Nice, France, May 29 - June 2, 2006.)
  
  
  106. H. Mizuseki, R. V. Belosludov, A. A. Farajian, T. Uehara, and Y. Kawazoe
  	Transport Properties through Ferrocene Molecules by First-principles Calculations and Nonequilibrium Green's Function Formalism
  	The European Materials Research Society'06 (E-MRS)
  	(Nice, France, May 29 - June 2, 2006.)
  
  
  107. H. Mizuseki, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Transport Properties of Porphyrin and Phthalocyanine: Theoretical Approach
  	4th International Conference on Porphyrins and Phthalocyanines, ICPP-4
  	(Rome, Italy, July 2 - 7, 2006.)
  
  
  108. H. Mizuseki, T. Uehara, R. V. Belosludov, Sang Uck Lee, A. A. Farajian, and Y. Kawazoe (Invited)
  	Transport Properties of Nanoscale Systems for Molecular Electronics Application
  	Working Group Meeting on Clusters and Nanomaterials of ACCMS
  	(Sendai, Japan, September 7 - 9, 2006.)
  
  
  109. H. Mizuseki and Y. Kawazoe (Invited)
  	Transport Properties of Nanoscale Materials for Molecular Devices Application
  	International Symposium on Materials Chemistry (ISMC-2006)
  	(Mumbai, India, December 4 - 8, 2006.)
  
  
  110. H. Mizuseki (Keynote)
  	Transport Properties of Nanoscale Materials for Molecular Wires Application
  	First International Congress on Nanoscience and Nanotechnology
  	(Tehran, Iran, December 18 - 20, 2006.)
  
  
  111. H. Mizuseki, T. Uehara, R. V. Belosludov, Sang Uck Lee, A. A. Farajian, and Y. Kawazoe (Invited)
  	Transport Properties through Nanoscale Materials by First Principles Calculations
  	International Symposium on Interdisciplinary Science of Nanomaterials
  	(Sendai, Japan, January 22 - 23, 2007.)
  
  
  112. H. Mizuseki, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
  	Effect of Metal Element on Transport Properties through Porphyrin: Theoretical Approach
  	General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
  	(Sendai, Japan, February 26 - 28, 2007.)
  
  
  113. H. Mizuseki, R. V. Belosludov, A. A. Farajian, T. Uehara, and Y. Kawazoe
  	Transport Properties through Molecular Clusters by First-principles Calculations
  	(Symposium on Size Selected Clusters 2007 (S3C2007) Brand, Austria, March 12-16, 2007.)
  
  
  114. H. Mizuseki, H. Chen, R. V. Belosludov, Sang Uck Lee, and Y. Kawazoe
  	Transport Properties through Nanoscale Materials by First-principles Calculations
  	(Frontiers in Computational Science of Nanoscale Transport (FCSNT) Tokyo, JAPAN, June 7-8, 2007.)
  
  
  115. H. Mizuseki and Y. Kawazoe (Invited)
  	First Principles Modeling on Supercomputers: Transport Properties of Atomic and Molecular Wires
  	(The 6th International Conference on Intelligent Processing and Manufacturing of Materials (IPMM) Salerno, Italy, June, 25-29 2007.)
  
  
  116. H. Mizuseki, R. V. Belosludov, T. Uehara, and Y. Kawazoe
  	Transport Properties of Ferrocene-based Wires for Molecular Devices Application
  	(The 6th International Conference on Intelligent Processing and Manufacturing of Materials (IPMM) Salerno, Italy, June, 25-29 2007.)
  
  
  117. H. Mizuseki, T. Uehara, R. V. Belosludov, A. A. Farajian, N. Igarashi, and Y. Kawazoe
  	Ab Initio Study on Conductance Properties: A Case Study of Ferrocene Monomer and Dimer
  	Frontiers in Materials Sciences Perspective of Japan-Russia Collaboration, International Symposium of the 15th Anniversary of the Academic Exchange Agreement between Tohoku University and Siberian Branch of Russian Academy of Sciences, Sendai International Center, Sendai, Japan, August 24, 2007
  
  
  118. 水関博志、Rodion V. Belosludov、上原朋樹、五十嵐伸昭、川添良幸
  	第一原理計算によるフェロセンワイヤーの電気伝導性評価
  	日本応用物理学会秋季講演会（北海道工業大学、札幌）２００７年９月
  
  
  119. T. M. Inerbaev、佐原亮二、水関博志、川添良幸、中村崇
  	酸化インジウムの電子状態に対するすず、酸素および空孔の影響
  	日本応用物理学会秋季講演会（北海道工業大学、札幌）２００７年９月
  
  
  120. H. Mizuseki, R. V. Belosludov, T. Uehara, Sang Uck Lee, and Y. Kawazoe (Invited)
  	Transport Properties of Nanoscale Materials for Molecular Wire Applications: A Case Study of Ferrocene Dimers
  	The 4th Asian Consortium for Computational Materials Science (ACCMS-4), (Seoul, Korea, September 12-16, 2007)
  
  
  121. 水関博志、Rodion V. Belosludov、Amir A. Farajian、Sang Uck Lee、上原朋樹、五十嵐伸昭、川添良幸
  	第一原理計算によるフェロセンワイヤーの電気伝導性評価
  	第１回分子科学討論会2007（東北大学、仙台）２００７年９月
  
  
  122. H. Mizuseki and Y. Kawazoe (Invited)
  	Transport Properties of Atomic and Molecular Wires: First Principles Calculations
  	MRS Fall 2007
  	(Boston, MA, U.S.A., November 26-30, 2007.)
  
  
  123. H. Mizuseki, R. V. Belosludov, Sang Uck Lee, A. A. Farajian, O. V. Pupysheva, C. Majumder, Jian-Tao Wang, H. Chen, and Y. Kawazoe
  	Transport Properties through Organic Materials by First Principles Calculations and Green's Function Approach
  	MRS Fall 2007
  	(Boston, MA, U.S.A., November 26-30, 2007.)
  
  
  124. R. V. Belosludov, O. S. Subbotin, 水関博志, V. R. Belosludov, 川添良幸
  	水素クラスレートハイドレートの物理的および化学的性質：エネルギー貯蔵利用の観点からの理論的考察
  	材料における水素有効利用研究会（屋久島）２００７年１２月
  
  
  125. H. Mizuseki and Y. Kawazoe
  	Electronic Structure of Oligothiophenes: Aromatic and Quinoid Structures
  	The Second General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
  	(Sendai, Japan, January 26-28, 2008.)
  
  
  126. H. Mizuseki, R. V. Belosludov, S. U. Lee, and Y. Kawazoe
  	Transport Properties through Nanomaterials by First-principles Calculations
  	(New Orleans, Annual APS March Meeting 2008, March 10-14, 2008.)
  
  
  127. T. M. Inerbaev, R. Sahara, H. Mizuseki, Y. Kawazoe, and T. Nakamura
  	Defect Concentration and Electronic Structure of Bulk Tin Dioxide
  	日本金属学会２００８年春期大会（武蔵工業大学、東京）２００８年３月
  
  
  128. T. M. Inerbaev、佐原亮二、水関博志、川添良幸、中村崇
  	酸化インジウムと二酸化スズの電子状態に対する酸素および空孔の影響
  	ナノ学会第６回大会　九州大学　２００８年５月７−９日
  
  
  129. H. Mizuseki N. Igarashi, R. Hayashi, R. V. Belosludov, S.-U. Lee, and Y. Kawazoe
  	Design of Nanoscale Materials for Molecular Devices by First Principles and Genetic Algorithm Approaches
  	19th ME&D (The 19th International Conference on Molecular Electronics and Devices)
  	(Suwon, Korea, May 29-30, 2008.)
  
  
  130. H. Mizuseki and Y. Kawazoe
  	Ab Initio Calculations of Quantum Transport through Atomic and Molecular Wires
  	CECAM workshop, Structural, Electronic and Transport Properties of Quantum Wires
  	(Lyon, France, June 9-12, 2008.)
  
  
  131. H. Mizuseki, R. V. Belosludov, and Y. Kawazoe
  	First Principles Calculations on Fullerene-Based Supramolecular Complex for Photovoltaic Devices
  	US-Japan POLYMAT 2008 Summit: Innovations and Opportunities in Polymer Materials for Energy and Optoelectronic Devices
  	(Ventura Beach, CA, U.S.A., August 10-13, 2008.)
  
  
  132. N. S. Venkataramanan, H. Mizuseki, and Y. Kawazoe
  	Hydrogen Adsorption over Lithium-functionalized Calixerenes
  	US-Japan POLYMAT 2008 Summit: Innovations and Opportunities in Polymer Materials for Energy and Optoelectronic Devices
  	(Ventura Beach, CA, U.S.A., August 10-13, 2008.)
  
  
  133. H. Mizuseki and Y. Kawazoe
  	Electronic Structure of Oligothiophenes: Aromatic and Quinoid Structures
  	US-Japan POLYMAT 2008 Summit: Innovations and Opportunities in Polymer Materials for Energy and Optoelectronic Devices
  	(Ventura Beach, CA, U.S.A., August 10-13, 2008.)
  
  
  134. N. S. Venkataramanan, H. Mizuseki, and Y. Kawazoe
  	Ab Initio Study on Improving the Hydrogen Absorption of MOFs
  	日本金属学会２００８年秋期大会（熊本大学、熊本）２００８年９月