出版物

原著論文
  1. H. Okumura:
    PROTEINS 80 (2012) 2397-2416.
    Temperature and pressure denaturation of chignolin: Folding and unfolding simulation by multibaric-multithermal molecular dynamics method
  2. H. Nomura, T. Koda, and H. Okumura:
    J. Phys. Soc. Jpn. 81 (2012) 114003
    Probing a Non-biaxial Behavior of Infinitely Thin Hard Platelets
  3. T. Morishita, S. G. Itoh, H. Okumura, and M. Mikami:
    Phys. Rev. E 85 (2012) 066702.
    Free-energy calculation via mean-force dynamics using a logarithmic energy landscape
  4. S. G. Itoh and H. Okumura:
    J. Phys. Soc. Jpn. 80 (2011) 094801 (8 pages).
    Length dependence of polyglycine conformations in vacuum
  5. H. Okumura:
    Phys. Chem. Chem. Phys. 13 (2011) 114-126.
    Optimization of partial multicanonical molecular dynamics simulations applied to an alanine dipeptide in explicit water
  6. S. G. Itoh, H. Okumura, and Y. Okamoto:
    J. Chem. Phys. 132 (2010) 134105 (8 pages)
    Replica-exchange method in parameter space: overcoming steric restrictions for biomolecules
  7. H. Okumura, E. Gallicchio, and R. M. Levy:
    J. Comp. Chem. 31 (2010) 1357-1367.
    Conformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting
  8. H. Okumura:
    J. Chem. Phys. 129 (2008) 124116 (9 pages).
    Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations
  9. H. Okumura and Y. Okamoto:
    J. Phys. Chem. B 112 (2008) 12038-12049.
    Temperature and pressure dependence of alanine dipeptide studied by multibaric-multithermal molecular dynamics simulations
  10. H. Okumura and Y. Okamoto:
    Bull. Chem. Soc. Jpn. 80 (2007) 1114-1123.
    Multibaric-multithermal molecular dynamics simulation of alanine dipeptide in explicit water
  11. H. Okumura, S. G. Itoh, and Y. Okamoto:
    J. Chem. Phys. 126 (2007) 084103 (17 pages).
    Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles
  12. H. Okumura and D. M. Heyes:
    Phys. Rev. E 74 (2006) 061201 (10 pages).
    Stationary temperature profiles in a liquid nano-channel: comparisons between molecular dynamics simulation and classical hydrostatics
  13. D. M. Heyes, M. Cass, A. C. Branka, and H. Okumura:
    J. Phys.: Condens. Matter 18 (2006) 7553-7558.
    First derivative of the hard-sphere radial distribution function at contact
  14. D. M. Heyes and H. Okumura:
    J. Chem. Phys. 124 (2006) 164507 (8 pages).
    Equation of state and structural properties of the Weeks-Chandler-Andersen fluid
  15. D. M. Heyes and H. Okumura:
    Mol. Sim. 32 (2006) 45-50.
    Some physical properties of the Weeks-Chandler-Andersen fluid
  16. H. Okumura and Y. Okamoto:
    J. Comput. Chem. 27 (2006) 379-395.
    Multibaric-multithermal ensemble molecular dynamics simulations
  17. H. Okumura and D. M. Heyes:
    Phys. Rev. E 70 (2004) 061206 (11 pages).
    Comparisons between a molecular dynamics and hydrodynamics treatment of non-stationary thermal processes in a liquid
  18. H. Okumura and Y. Okamoto:
    J. Phys. Soc. Jpn. 73 (2004) 3304-3311.
    Liquid-gas phase transitions studied by multibaric-multithermal Monte Carlo simulations
  19. H. Okumura and Y. Okamoto:
    Phys. Rev. E 70 (2004) 026702 (14 pages).
    Monte Carlo simulations in generalized isobaric-isothermal ensembles
  20. H. Okumura and Y. Okamoto:
    Chem. Phys. Lett. 391 (2004) 248-253.
    Molecular dynamics simulations in the multibaric-multithermal ensemble
  21. H. Okumura and Y. Okamoto:
    Chem. Phys. Lett. 383 (2004) 391-396.
    Monte Carlo simulations in multibaric-multithermal ensemble
  22. H. Okumura and N. Ito:
    Phys. Rev. E 67 (2003) 045301(R) (4 pages).
    Nonequilibrium Molecular Dynamics Simulations of a Bubble
  23. H. Okumura and F. Yonezawa:
    Phys. Rev. E 67 (2003) 021205 (7 pages).
    Bulk Viscosity in the Case of the Interatomic Potential Depending on Density
  24. J. Koga, H. Okumura, K. Nishio, T. Yamaguchi, and F. Yonezawa:
    Phys. Rev. B 66 (2002) 064211 (10 pages).
    Simulational Analysis of the Local Structure in Liquid germanium under pressure
  25. H. Okumura and F. Yonezawa:
    J. Chem. Phys. 116 (2002) 7400-7410.
    New Formula for the Bulk Viscosity Constructed from the Interatomic Potential and the Pair Distribution Function
  26. H. Okumura and F. Yonezawa:
    J. Phys. Soc. Jpn. 71 (2002) 685-688.
    Approximate Formula for Bulk Viscosity
  27. H. Okumura and F. Yonezawa:
    J. Phys. Soc. Jpn. 70 (2001) 1990-1994.
    Reliable Determination of Liquid-Vapor Critical Point by NVT Plus Test Particle Method
  28. H. Okumura and F. Yonezawa:
    J. Phys. Soc. Jpn. 70 (2001) 1006-1009.
    Expansion Type of Model Fluids
  29. H. Okumura and F. Yonezawa:
    J. Chem. Phys. 113 (2000) 9162-9168.
    Liquid-Vapor Coexistence Curves of Several Interatomic Model Potentials
国際会議プロシーディング(査読あり)
  1. H. Okumura:
    Mol. Phys. 104 (2007) 3751-3756.
    Hydrodynamics in a Nanoscale Liquid: Comparisons with Molecular Dynamics in Non-stationary Processes
    7th Liblice Conference on the Statistical Mechanics of Liquids Lednice, Czech Republic, 2006
  2. H. Okumura and Y. Okamoto:
    Mol. Sim. 33 (2007) 91-96.
    Multibaric-multithermal molecular dynamics simulation: Generalized Nose-Poincare-Andersen method
    International Symposium on Progress and Future Prospects in Molecular Dynamics Simulation ‐In Memory of Professor Shuichi Nose‐, Yokohama, Japan, 2006
  3. H. Okumura and Y. Okamoto:
    Comput. Phys. Commun. 169 (2005) 317-321.
    Molecular Simulations in the Multibaric-Multithermal Ensembles
    Conference on Computational Physics 2004, Genoa, Italy, 2004
  4. H. Okumura and Y. Okamoto:
    Physica A 350 (2005) 150-158.
    Multibaric-multithermal ensemble simulations for fluid systems
    The 7th Taiwan International Symposium on Statistical Physics, Taipei, Taiwan, 2004
  5. H. Okumura and Y. Okamoto:
    Mol. Sim. 30 (2004) 847-852.
    Multibaric-multithermal ensemble simulation for simple liquids
    Joint Meeting: International Conference on Molecular Simulation and Computational Science Workshop 2004, Tsukuba, Japan, 2004
  6. H. Okumura and F. Yonezawa:
    Physica A 321 (2003) 207-219.
    New expression of the bulk viscosity
    The 6th Taiwan International Symposium on Statistical Physics, Taipei, Taiwan, 2002
  7. H. Okumura and F. Yonezawa:
    J. Non-cryst. Solids 312-314 (2002) 256-259.
    Precise determination of the liquid-vapor critical point by the NVT plus test particle method
    The 11th International Conference on Liquid and Amorphous Metals, Yokohama, Japan, 2001
  8. H. Okumura and F. Yonezawa:
    J. Non-cryst. Solids 312-314 (2002) 260-264.
    Bulk viscosity in a density-dependent-potential system
    The 11th International Conference on Liquid and Amorphous Metals, Yokohama, Japan, 2001
  9. J. Koga, H. Okumura, K. Nishio, T. Yamaguchi, and F. Yonezawa:
    J. Non-cryst. Solids 312-314 (2002) 95-98.
    Simulational study of liquid germanium under pressure
    The 11th International Conference on Liquid and Amorphous Metals, Yokohama, Japan, 2001
  10. H. Okumura and F. Yonezawa:
    J. Non-cryst. Solids 293-295 (2001) 715-718.
    Method for liquid-vapor coexistence curves by test particle insertions in the canonical ensemble
    The 8th International Conference on the Structure of Non-Crystalline Materials Aberystwyth, U.K., 2000
  11. H. Okumura and F. Yonezawa:
    Physica B 296 (2001) 180-183.
    Molecular dynamics study of liquid-vapor coexistence curves and supercritical fluids
    Symposium on Wave Propagation and Electronic Structure in Disordered Systems Heraklion, Greece, 2000
  12. H. Okumura, S. Sueyoshi, and F. Yonezawa:
    Prog. Theor. Phys. Suppl. 138 (2000) 253-254.
    Liquid-Vapor Coexistence Curves and Fliud Structure
    The 5th International Conference on Computational Physics, Kanazawa, Japan, 1999
  13. S. Sueyoshi, H. Okumura, and F. Yonezawa:
    Prog. Theor. Phys. Suppl. 138 (2000) 255-256.
    The Relationship between the Metal-Nonmetal Transition and the Coordination Number in Divalent Systems
    The 5th International Conference on Computational Physics, Kanazawa, Japan, 1999
国際会議プロシーディング(査読なし)
  1. H. Okumura and Y. Okamoto:
    in Computer Simulation Studies in Condensed Matter Physics XVII, D. P. Landau, S. P. Lewis, and H.-B. Schuettler (eds.) (Springer Verlag, 2005), pp. 146-150.
    Multibaric-Multithermal Simulations for Lennard-Jones Fluids
    17th Annual Workshop: Recent Developments in Computer Simulation Studies in Condensed Matter Physics, Goergia, U.S.A., 2004
  2. H. Okumura and Y. Okamoto:
    Trans. MRS-J. 29 (2004) 3783-3786.
    Monte Carlo simulations in new generalized isobaric-isothermal ensemble
    The 8th IUMRS International Conference on Advanced Materials, Yokohama, Japan, 2003
解説(英文)
  1. H. Okumura:
    Adv. Nat. Sci.: Nanosci. Nanotechnol. 1 (2010) 033002 (8 pages).
    Generalized-ensemble molecular dynamics and Monte Carlo algorithms beyond the limit of the multicanonical algorithm
  2. S. G. Itoh, and H. Okumura and Y. Okamoto:
    Mol. Sim. 33 (2007) 47-56.
    Generalized-ensemble algorithms for molecular dynamics simulations
解説(和文)
  1. 奥村久士:
    分子シミュレーション研究会会誌 アンサンブル 12 No.2 (通巻50号) (2010) 23-27.
    マルチバーリック・マルチサーマル法と部分的マルチカノニカル法
  2. 奥村久士:
    分子シミュレーション研究会会誌 アンサンブル 12 No.1 (通巻49号) (2010) 64-69.
    分子動力学シミュレーションにおける温度・圧力制御 第6回:マルチカノニカル法とマルチバーリック・マルチサーマル法(連載解説)
  3. 奥村久士:
    分子シミュレーション研究会会誌 アンサンブル 11 No.4 (通巻48号) (2009) 26-30.
    分子動力学シミュレーションにおける温度・圧力制御 第5回:パリネロ・ラーマンの方法,圧力一定のガウス束縛法,圧力一定のベレンゼンの方法(連載解説)
  4. 奥村久士:
    分子シミュレーション研究会会誌 アンサンブル 11 No.3 (通巻47号) (2009) 22-26.
    分子動力学シミュレーションにおける温度・圧力制御 第4回:アンダーセンの方法と能勢・アンダーセンの方法(連載解説)
  5. 奥村久士:
    分子シミュレーション研究会会誌 アンサンブル 11 No.2 (通巻46号) (2009) 43-46.
    分子動力学シミュレーションにおける温度・圧力制御 第3回:速度スケーリング法,ガウス束縛法,ベレンゼン熱浴(連載解説)
  6. 奥村久士:
    分子シミュレーション研究会会誌 アンサンブル 11 No.1 (通巻45号) (2009) 35-40.
    分子動力学シミュレーションにおける温度・圧力制御 第2回:シンプレクティック解法と能勢・ポアンカレ熱浴(連載解説)
  7. 奥村久士:
    分子シミュレーション研究会会誌 アンサンブル 10 No.4 (通巻44号) (2008) 29-33.
    分子動力学シミュレーションにおける温度・圧力制御 第1回:能勢の熱浴と能勢・フーバー熱浴(連載解説)
  8. 奥村久士:
    日本物理学会誌 63 (2008) 291-295.
    分子動力学シミュレーションにおける新しい拡張アンサンブル法:マルチバーリック・マルチサーマル法
  9. 奥村久士, 岡本祐幸:
    物性研究 85 (2005) 341-346.
    マルチバーリック・マルチサーマルアンサンブルにおけるレナード・ジョーンズ流体のシミュレーション
  10. 奥村久士, 米沢富美子:
    固体物理 38 (2003) 57-64.
    液体水銀の金属−非金属転移領域における体積粘性率異常の理論
  11. 奥村久士:
    分子シミュレーション研究会ニュースレター アンサンブル 19 (2002) 8-9.
    液体の熱力学的性質の理論的研究 -気液相転移と体積粘性率-
  12. 奥村久士, 米沢富美子:
    固体物理 36 (2001) 1-9.
    臨界点近傍の気液共存線の理論的決定-従来の方法の限界を凌駕する新しい方法の提案-
訳書
  1. P. R. Bergethon 著, 谷村吉隆, 佐藤啓文, 依田隆夫, 秋山良, 藤原進, 奥村久士 訳
    「ベルゲソン 生化学の物理的基礎」シュプリンガー・フェアラーク東京 (2004)
    (原題 The Physical Basis of Biochemistry: The Foundations of Molecular Biophysics)