Year 2016 (International Conferences) Doi, H., Okuwaki, K., Mochizuki, Y., Ozawa, T., and Yasuoka, K., "Dissipative Particle Dynamics Simulations for Lipid Membrane using Fragment molecular orbital-based Effective Parameters", The 11th SPSJ International Polymer Conference(IPC2016), Fukuoka, Japan, 13-13, Dec., 2016 (14, Dec., 2016). Okuwaki, K., Doi, H., Mochizuki, Y., Ozawa, T., and Yasuoka, K., "Fragment Molecular Orbital-based Parameterizing Procedure for Dissipative Partcile Dynamics Simulations", The 11th SPSJ International Polymer Conference(IPC2016), Fukuoka, Japan, 13-13, Dec., 2016 (14, Dec., 2016). Tomobe, K., Iijima, T., Yamamoto, E., Kojic, D., Tsenkova, R., Yasui, M., and Yasuoka, K., "Vibrational spectra of water molecules in monosaccharide solutions by Car-Parinello molecular dynamics simulation", Aquaphotomics: Understanding Water in Biology 2nd International Symposium, Kobe, Japan, 26-28, Nov., 2016 (27, Nov., 2016). Nakamura, S., Tomobe, K., Yamamoto, E., Ishiyama, T., and Yasuoka, K., "Vibrational spectra analysis of alpha-D-glucose solution in infrared region using anharmonic potential", Aquaphotomics: Understanding Water in Biology 2nd International Symposium, Kobe, Japan, 26-28, Nov., 2016 (27, Nov., 2016). Suh, D. and Yasuoka, K., "Molecular Dynamics Simulation of Droplet, Bubble, and Crystal Nucleation", The Fourth International Forum on Heat Transfer (IFHT2016), Sendai, Japan, 02-04, Nov., 2016 (04, Nov., 2016). Suh, D., Nakamura, M., and Yasuoka, K., "Understanding homogeneous nucleation by molecular dynamics", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (26, Oct., 2016). Arai, N., Yasuoka, K., and Zeng, X. C., "Self-assembly and layer transition of onion-like vesicles from minimal molecules", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (26, Oct., 2016). Suh, D. and Yasuoka, K., "Heterogeneous nucleation of droplets, bubbles, and crystals by molecular dynamics", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (25, Oct., 2016). Brumby, P., Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., "The stability of binary ethane-methane clathrate hydrate for various gas phase compositions by isobaric-isothermal Gibbs Ensemble Monte Carlo", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (25, Oct., 2016). Tomobe, K., Iijima, T., Yamamoto, E., Kojic, R. Tsenkova, D., Yasui, M., and Yasuoka, K., "Dynamics of monosaccharide and water molecule in aqueous solution: Dependence on temperature and concentration", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (24, Oct., 2016). Yuhara, D., Brumby, P. E., Wu, D. T., Sum, A. K. and Yasuoka, K., "Equilibrium Molecular Dynamics Simulation of Three-Phase Coexistence System for Methane Hydrate", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (24, Oct., 2016). Hiratsuka, M., Ohmura, R., and Yasuoka, K., "Ab initio molecular dynamics simulation for the tert-n-butylammonium bromide semiclathrate hydrate", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (24, Oct., 2016). Nomura, K., Bai, J., Yasuoka, K., and Zeng, X. C., "Multdimensional replica-exchange molecular dynamics simulation of freezing behavior in quasi-one-dimensional confined water", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (24, Oct., 2016). Koishi, T., Yasuoka, K., and Zeng, X. C., "Molecular dynamics simulation of a bouncing droplets on a solid surface", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (24, Oct., 2016). Kobayashi, Y., Nomura, K., Yasuoka, K., and Arai, N., "Replica exchange dissipative particle dynamics method on theadlike miceller aqueous solutions", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (24, Oct., 2016). Akimoto, T., Yamamoto, E., Kalli, A. C., Yasuoka, K., and Sansom M. S. P., "A method to detect large fluctuations of diffusivity using single-particle trajectories", The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26, Oct., 2016 (24, Oct., 2016). Brumby, P., Yuhara, D. Wu, D. T., Sum, A. K. and Yasuoka, K., "Gibbs Ensemble Monte Carlo simulations of ethane-methane hydrate", The 11th Asian Thermophysical Properties Conference(ATPC 2016), Yokohama, Japan, 02-06, Oct., 2016 (05, Oct., 2016). Nozawa, T., Brumby, P., and Yasuoka, K., "Effect of anisotropic interactions on the phase behavior of chiral Gay-Berne systems", The 11th Asian Thermophysical Properties Conference(ATPC 2016), Yokohama, Japan, 02-06, Oct., 2016 (05, Oct., 2016). Suh, D. and Yasuoka, K., "Thermal Fluctuation Analysis of Heterogeneous Bubble Nucleation by Molecular Dynamics", The 11th Asian Thermophysical Properties Conference(ATPC 2016), Yokohama, Japan, 02-06, Oct., 2016 (04, Oct., 2016). Tomobe, K., Yamamoto, E., Kholmurodov. K., and Yasuoka, K., "Molecular dynamics simulation of Rhodopsin and Opsin: transport through internal water pathways", Khujand Symposium on Computational Materials and Biological Sciences(KSCMBS), Khujand, Tajikistan, 24-28, Sep., 2016 (26, Sep., 2016). Nozawa, T., Brumby, P., and Yasuoka, K., "Coarse-grained simulations to investigate the phase behavior of chiral liquid crystals", Khujand Symposium on Computational Materials and Biological Sciences(KSCMBS), Khujand, Tajikistan, 24-28, Sep., 2016 (26, Sep., 2016). Nakamura, S., Tomobe, K., Yamamoto, E. Ishiyama, T, and Yasuoka, K., "Vibrational spectra analysis of water molecules in infrared region using anharmonic potential", Khujand Symposium on Computational Materials and Biological Sciences(KSCMBS), Khujand, Tajikistan, 24-28, Sep., 2016 (26, Sep., 2016). Nozawa, T., Brumby, P. E., and Yasuoka, K., "Investigating the phase behavior of chiral liquid-crystal systems via Monte Carlo simulations", Colloquium of the International Graduate Research Training Group 1524 - SSNI - Self-Assembled Soft-Matter Nanostructures at Interfaces(IRTG 1524 Colloquium 2016), Technical University Berlin, Germany, 13-13, Sep., 2016 (13, Sep., 2016). Brumby, P. E., Wensink, H. H., Haslam, A. J. and Yasuoka, K., "Calculation of the pressure and interfacial tension of confined hard-spherocylinders fluids by volume perturbations", Colloquium of the International Graduate Research Training Group 1524 - SSNI - Self-Assembled Soft-Matter Nanostructures at Interfaces(IRTG 1524 Colloquium 2016), Technical University Berlin, Germany, 13-13, Sep., 2016 (13, Sep., 2016). Takahashi, K. Z., Nishimura, R., Yasuoka, K., and Masubuchi, Y., "A linkage of static and dynamic polymer properties between atomistic and bead-spring model", 6th EuCheMS Chemistry Congress, Seville, Spain, 11-15, Sep., 2016 (14, Sep., 2016). Imai, N., Suh, D., Takaiwa, D., and Yasuoka, K., "Designing of Ice Crystal Nucleation Promoting Surface Using Molecular Dynamics", The 18th International Conference on Crystal Growth and Epitaxy(ICCGE-18), Nagoya, Japan, 07-12, Aug., 2016 (09, Aug., 2016). Suh, D. and Yasuoka, K., "Heterogeneous Crystal Growth on Seed Particle by Molecular Dynamics", The 18th International Conference on Crystal Growth and Epitaxy(ICCGE-18), Nagoya, Japan, 07-12, Aug., 2016 (08, Aug., 2016). Nozawa, T., Brumby, P. E., Haslam, A. J., Jackson, G., and Yasuoka, K., "A theoretical research on developing SAFT for ordered fluids", Modeling Liquid Crystals and Complex Fluids, Imperial College London, UK, 07-07, Jul., 2016 (07, Jul., 2016). Brumby, P. E., Wensink, H. H., Nozawa, T., Haslam, A. J., and Yasuoka, K., "Monte Carlo simulations of chirality in liquid-crystalline fluids with large pitch distances", Modeling Liquid Crystals and Complex Fluids, Imperial College London, UK, 07-07, Jul., 2016 (07, Jul., 2016). Suh, D. and Yasuoka, K., "Molecular Dynamics Simulation of Heterogeneous Nucleation of Aerosols from Water Vapor", Goldschmidt 2016, Yokohama, Japan, 26-01, Jun., 2016 (29, Jun., 2016). Suh, D. and Yasuoka, K., "Molecular dynamics simulation of bubble formation from different colloid geometries", 6th International Colloids Conference, Berlin, Germany, 19-22, Jun., 2016 (21, Jun., 2016). Suh, D. and Yasuoka, K., "Molecular Dynamics Simulation of Atmospheric Aerosol Growth from Water Vapor", 23rd Pacific Science Congress, Taipei, Taiwan, 13-17, Jun., 2016 (16, Jun., 2016). Suh, D. and Yasuoka, K., "Adsorption Analysis on Solid Particle by Molecular Dynamics", 12th International Conference on Fundamentals of Adsorption, Friedrichshafen, Germany, 29-03, May., 2016 (31, May., 2016). Brumby, P. E., Yuhara, D., Wu, D. T., Sum A. K. and Yasuoka, K., "Equilibrium Properties of Methane Hydrate by Gibbs Ensemble Monte Carlo Simulations", Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17, Mar., 2016. Hiratsuka, M., Ohmura, R., Sum, A. K., Alavi, S. and Yasuoka, K., "Car-Parrinello Molecular Dynamics Study of Guest-Host Interaction in Ammonia Clathrate Hdyrate", Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17, Mar., 2016 (16, Mar., 2016). Takaiwa, D., Imai, N., Suh, D., and Yasuoka, K., "Molecular dynamics simulation of heterogeneous ice nucleation on silver iodide surface", Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17, Mar., 2016 (14, Mar., 2016). Tomobe, K., Yamamoto, E., Kholmurodov, K. and Yasuoka, K., "Water Transport into Protein Inside in Active Rhodopsin: a Molecular Dynamics Study", Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17, Mar., 2016 (14, Mar., 2016). Yuhara, D., Brumby, P. E., Wu, D. T., Sum, A. K. and Yasuoka, K., "Prediction of Three Phase Equilibrium Points of Methane Hydrate by NVT Molecular Dynamics Simulation", Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17, Mar., 2016 (14, Mar., 2016). Suh, D. and Yasuoka, K., "Aspect Ratio Effect of Nanorod Condensation by Molecular Dynamics", Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17, Mar., 2016 (14, Mar., 2016). Nomoto, Y., Sano, R., Hiratsuka, M., Takaiwa, D., Fujita, Y., Kondo, Y. and Yasuoka, K., "Non-Equilibrium Molecular Dynamics Simulation of Evaporation Process for Diatomic Molecule", Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17, Mar., 2016 (14, Mar., 2016). Brumby, P. E., Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., "Advantages of the Gibbs ensemble Monte Carlo method for the simulation of clathrate hydrates at equilibrium", Global Environmental System Leaders (GESL) Workshop 2016 on Molecular Simulation, Yokohama, Japan, 01-01, Mar., 2016 (01, Mar., 2016). Yuhara, D., Brumby, P. E., Wu, D. T., Sum A. K. and Yasuoka, K., "Prediction of the three-phase coexistence points for methane hydrate by NVT molecular dynamics simulation", Global Environmental System Leaders (GESL) Workshop 2016 on Molecular Simulation, Yokohama, Japan, 01-01, Mar., 2016 (01, Mar., 2016). Tomobe, K., Iijima, T., Yamamoto, E., Yasui, M. and Yasuoka, K., "Vibrations of water molecules in monosaccharide hydration shell by DFT-MD studies", Biophysical Society Annual Meeting 60th, Los Angeles, USA, 27-02, Feb., 2016 (02, Mar., 2016). Inoue, K., Yamamoto, E., Takaiwa, D., Yasuoka, K. and Mikami, M., "Molecular dynamics study of ganglioside GM3/DPPC membrane by using coarse-grained model", Biophysical Society Annual Meeting 60th, Los Angeles, USA, 27-02, Feb., 2016 (29, Feb., 2016). Yamamoto, E., Akimoto, T., Yasui, M. and Yasuoka, K., "Water dynamics and ion interaction at channel entrance of aquaporin 1", Biophysical Society Annual Meeting 60th, Los Angeles, USA, 27-02, Feb., 2016 (28, Feb., 2016).