Yasuoka Laboratory


  • Year 2013 (International Conferences)
    • Suh, D., Yasuoka, K., and Zeng, X., "Molecular Dynamics Simulation of Vapor Condensation on Nanotubes", 4th ASME Micro/Nano Heat and Mass Transfer International Conference, Hong Kong, China, 11-14, Dec., 2013 (12, Dec., 2013).

    • Nomura, K., Oikawa, M., Kawai, A., Narumi, T., and Yasuoka, K., "3P56 GPU Accelerated Replica Exchange Molecular Dynamics Simulation of Lennard-Jones Fluid", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Takahashi, K. Z., Nozawa, T., Kameoka, S., Narumi, T., Suh, D., Yasuoka, K., "Applications of a Linear-combination-based Isotropic Periodic Sum Method in Molecular Dynamics Simulations", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Suh, D., Yasuoka, K., "Heterogeneous Nucleation on Various Seed Configurations by Molecular Dynamics", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Akimoto, T., Yamamoto, E., Yasui, M., Yasuoka, K., "Anomalous water dynamics on the membrane surface", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Shibuya, T., Yasuoka, K., MIrbt, S., and Sanyal, B., "DFT Study of Negatively Charged Oxygen Vacancy on (110) TiO2 Surface", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Tomobe, K., Yamamoto, E., Dusan, K.,Yasui, M., and Yasuoka, K., "The concentration and halide ion effect of the ionic cluster", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Yamato, N., Yonekawa, I., Takahashi, K. Z., Yasuoka, K., and Masubuchi Y., "Relaxation modulus connection between Atomistic and Coarse-Grained Molecular Simulation of Polymer Melts using the Rouse Parameters", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Kaneko, T., Bai, J., Yasuoka, K., Mitsutake, A., and Zeng, X., "Phase Transitions of Water Confined in Slit Pores", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka, "Guest-host hydrogen bond in sII and sH amyl-alcohol hydrate from molecular dynamics simulation", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Yuhara, D., Takaiwa, D and Yasuoka, K., "Analysis for Crystal Growth of Methane Hydrate from Molecular Dynamics Simulation", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K., "Molecular Dynamics Simulation on Conformational Fluctuation and Water Transport within AQP1", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K., "Study of Water-Methanol Mixture Flowing into a Carbon Nanotube with Molecular Dynamics Simulation: Effect of Electric Field", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (19, Nov., 2013).

    • Nozawa, T., Takahashi, K. Z., Narumi, T., and Yasuoka, K., "The dependence of ordering process on Coulombic interaction treatment 5CB system", 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20, Nov., 2013 (18, Nov., 2013).

    • Zhang, L., Shibuya, T., and Yasuoka, K., "First-principles calculations of the dielectric properties of SiO2 and TiO2 surface", The 4th International Symposium on Micro and Nano Technology (ISMNT-4), Shanghai, China, 08-12, Oct., 2013 (09, Oct., 2013).

    • Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K., "Water Transport Through a Carbon Nanotube with Molecular Dynamics Simulation", The 4th International Symposium on Micro and Nano Technology (ISMNT-4), Shanghai, China, 08-12, Oct., 2013 (09, Oct., 2013).

    • Nomura, K., Oikawa, M., Kawai, A., Narumi, T., and Yasuoka, K., "Acceleration of Replica Exchange Molecular Dynamics Simulation on Graphics Processing Units", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Shibuya, T., Yasuoka, K., Mirbt, S., and Sanyal, B., "DFT study of the bipolaron formation due to oxygen vacancy on (110) TiO2 surface", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Takaiwa, D., Yasuoka, K., and Ebisuzaki, T., "Molecular dynamics simulation of interaction of nucleotide with a phospholipid bilayer", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Yuhara, D., Takaiwa, D and Yasuoka, K., "Analysis of Methane Hydrate Growth Rate from Molecular Dynamics Simulation", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K., "Water Transportation in Aquaporin-1 Follows non-Poisson Statics", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (12, Sep., 2013).

    • Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K., "Study of Water-Methanol Mixture Flowing into Carbon Nanotubes with Molecular Dynamics Simulation", 1st International Symposium on Computational Materials and Biological Sciences, Waseda, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Nobuyoshi Yamato, Iori Yonekawa, Kenji Yasuoka, Yuichi Masubuchi, "Connection of atomistic and coarse-grained molecular simulation of polymer melts based on the Rouse parameters", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Katsufumi Tomobe, Eiji Yamamoto, Takuma Akimoto, Masato Yasui, and Kenji Yasuoka, "The behavior of conserved water molecules of PrPc and pathogenic mutation T188R by molecular dynamics simulations", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Donguk Suh and Kenji Yasuoka, "Molecular Dynamics Simulation of Heterogeneous Nucleation on Various Seed Shapes", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka, "Molecular motion analysis of amyl-alcohol in structure II and H clathrate hydrates by molecular dynamics simulation", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (12, Sep., 2013).

    • Takuma Nozawa, Kazuaki Takahashi, Tetsu Narumi, and Kenji Yasuoka, "Molecular dynamics of 5CB with GPU accelerated Coulombic calculation", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12, Sep., 2013 (11, Sep., 2013).

    • Takaiwa, D., Sakamaki, R., Sum, A.K., Narumi, T., and Yasuoka, K., "The melting point of hexagonal ice from the isobaric-isoenthalpic molecular dynamics simulation", 16th International Conference on the Properties of Water and Steam, London, UK, 01-05, Sep., 2013 (04, Sep., 2013).

    • Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K., "Origin of Anomalous Feature of WaterMolecules on Membrane Surface", 16th International Conference on the Properties of Water and Steam, London, UK, 01-05, Sep., 2013 (03, Sep., 2013).

    • Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka, "Ab initio Calculations of Vibrational Spectra and Guest - Host Interaction in Clathrate Hydrate", 16th International Conference on the Properties of Water and Steam, London, UK, 01-05, Sep., 2013 (05, Sep., 2013).

    • Kaneko, T., Hara, T., Mitsutake, A., and Yasuoka, K., "The role of beta sheets formation in the early stage self-assembly of peptide amphiphile worm-like micelles: A replica-exchange molecular dynamics study", 7th Mini-Symposium on Liquids, Fukuoka, Japan, 05-06, Jul., 2013 (05, Jul., 2013).

    • Donguk Suh, Kenji Yasuoka, and Xiao Cheng Zeng, "Molecular Dynamics Simulation of Heterogeneous Nucleation on Nanorods", 19th International Conference on Nucleation and Atmospheric Aerosols, Fort Collins, USA, 24-28, Jun., 2013 (28, Jun., 2013).

    • Donguk Suh and Kenji Yasuoka, "Heterogeneous Nucleation on Nanorods and Nanotubes by Molecular Dynamics", 17th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, 13-21, Apr., 2013.

    • Kh. Kholmurodov, E. Dushanov, R. Eremin, Donguk Suh, and Kenji Yasuoka, "Heterogeneous Water Vapor Nucleation Inside Carbon Nanopores", 17th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, 13-21, Apr., 2013.

    • Kenji Yasuoka, "Molecular Simulation of formation for dimer of RNA substance and membrane", Earth-Life Science Institute, Opening Ceremony, Tokyo Institute of Technology and 1st Earth-Life Science Institute International Symposium, Tokyo, Japan, 27-29, Mar., 2013 (29, Mar., 2013).

    • Katsufumi Tomobe, Eiji Yamamoto, Takuma Akimoto, Masato Yasui, and Kenji Yasuoka, "Molecular dynamics study of water behavior in typical hydration sites of PrPc and pathogenic mutation T188R", The 2nd International Symposium on development of global environmental system leaders through international collaborative education and research, Tokyo, Japan, 25-26, Feb., 2013.

    • Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Masato Yasui, and Kenji Yasuoka, "Power-Law Trappings Cause Anomalous Diffusions of Water Molecules on Membrane Surfaces", Biophysical Society 57th Annual Meeting, Philadelphia, Pennsylvania, 02-06, Feb., 2013 (03, Feb., 2013).

    • Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Masato Yasui, and Kenji Yasuoka, "Molecular Dynamics Simulations on Anomalous Dynamics of Water, Xenon, and Lipid Bilayer", Nagoya Symposium -Frontiers in Structural Physiology-, Nagoya, Japan, 22-24, Jan., 2013.


Yasuoka Laboratory