Yasuoka Laboratory


  • 2017年 (15 papers)
    • Yuhara, D., Brumby, P. E., David, T., W., Sum, A. K., Yasuoka, K., "Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations", The Journal of Chemical Physics, 148, 184501(2017). (9 pages.) DOI: 10.1063/1.5016609

    • Tomobe, K., Yamamoto, E., Kojic, D., Sato, Y., Yasui, M., and Yasuoka, K., "Origin of the blueshift of water molecules at interfaces of hydrophilic cyclic compounds", Science Advances, 3, e1701400(2017). (7 pages.) DOI: 10.1126/sciadv.1701400

    • Suh, D., and Yasuoka, K., "Heterogeneous cavitation and crystallisation with an impurity by molecular dynamics", Molec. Simul., 44, 530-533(2017). (4 pages.) DOI: 10.1080/08927022.2017.1402308

    • Takahashi, K. Z., Nishimura, R., Yamato, N., Yasuoka, K., and Masubuchi, Y., "Onset of static and dynamic universality among molecular models of polymers", Scientific Reports, 7, 12379(2017). (7 pages.) DOI: 10.1038/s41598-017-08501-0

    • Koishi, T., Yasuoka, K., and Zeng, X. C., "Molecular Dynamics Simulation of Water Nanodroplet Bounce Back from Flat and Nanopillared Surface", Langmuir, 33, 10184-10192(2017). DOI: 10.1021/acs.langmuir.7b02149

    • Takahashi, K. Z., Yamato, N., Yasuoka, K., and Masubuchi, Y., "Critical test of bead-spring model to resolve the scaling laws of polymer melts: a molecular dynamics study", Molec. Simul., 43, 1196-1201(2017). DOI: 10.1080/08927022.2017.1334883

    • Doi, H., Okuwaki, K., Mochizuki, Y., Ozawa, T., and Yasuoka, K., "Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Parmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane", Chem. Phys. Lett., 684, 427-432(2017). DOI: 10.1016/j.cplett.2017.07.032

    • Winarto, Yamamoto, E., and Yasuoka, K., "Water Molecules in a Carbon Nanotube under an Applied Electric Field at Various Temperatures and Pressures", Water, 9, 473(2017). (14 pages.) DOI: 10.3390/w9070473

    • Doi, H., and Yasuoka, K., "Replica exchange molecular simulation of Lennard-Jones particles in a two-dimensional confined system", AIP Advances, 7, 055018(2017). (9 pages.) DOI: 10.1063/1.4984815

    • Tomobe, K., Yamamoto, E., Yasui, M., and Yasuoka, K., "Effects of temperature, concentration, and isomer on the hydration structure in monosaccharide solutions", Phys. Chem. Chem. Phys., 19, 15239-15246(2017). DOI: 10.1039/C7CP02392H

    • Shibuya, T., Yasuoka, K., Mirbt, S., and Sanyal, B., "Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces", J. Phys. Chem. C, 121, 11325-11334(2017). DOI: 10.1021/acs.jpcc.7b00935

    • Tomobe, K., Yamamoto, E., Kholmurodov, K., and Yasuoka, K., "Water permeation through the internal water pathway in activated GPCR rhodopsin", PLOS ONE, 12, e0176876(2017). DOI: 10.1371/journal.pone.0176876

    • Nomura, K., Kaneko, T., Bai, J., Francisco, J. S., Yasuoka, K., and Zeng, X. C., "Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube", PNAS, 114, 4066-4071(2017). DOI: 10.1073/pnas.1701609114

    • Yamamoto, E., Akimoto, T., Kalli, A. C., Yasuoka, K., and Sansom, M. S. P., "Dynamic interactions between a membrane binding protein and lipids induce fluctuating diffusivity", Science Advances, 3, e1601871(2017). (6 pages.) DOI: 10.1126/sciadv.1601871

    • Takahashi, K. Z., Nishimura, R., Yasuoka, K., and Masubuchi, Y., "Molecular Dynamics Simulations for Resolving Scaling Laws of Polythylene Melts", Polymers, 9, 24(2017). (12 pages.) DOI: 10.3390/polym9010024

Yasuoka Laboratory