• 4244 引用
  • 37 h指数
1994 …2020

年単位の研究成果

Pureに変更を加えた場合、すぐここに表示されます。

研究成果

2020
公開

Mechanism for H2diffusion in sII hydrates by molecular dynamics simulations

Hasegawa, T., Brumby, P. E., Yasuoka, K. & Sum, A. K., 2020 8 7, : : Journal of Chemical Physics. 153, 5, 054706.

研究成果: Article

公開
公開
2019

Anisotropy of dodecahedral water cages for guest gas occupancy in semiclathrate hydrates

Yuhara, D., Yasuoka, K., Takeya, S. & Muromachi, S., 2019 1 1, : : Chemical Communications. 55, 68, p. 10150-10153 4 p.

研究成果: Article

2 引用 (Scopus)
3 引用 (Scopus)

Crystal Engineering of Bi2WO6 to Polar Aurivillius-Phase Oxyhalides

Morita, K., Park, J. S., Kim, S., Yasuoka, K. & Walsh, A., 2019 12 5, : : Journal of Physical Chemistry C. 123, 48, p. 29155-29161 7 p.

研究成果: Article

Detection of molecular behavior that characterizes systems using a deep learning approach

Endo, K., Yuhara, D., Tomobe, K. & Yasuoka, K., 2019 5 28, : : Nanoscale. 11, 20, p. 10064-10071 8 p.

研究成果: Article

1 引用 (Scopus)

Molecular Dynamic Simulations to Probe Water Permeation Pathways of GPCRs

Tomobe, K., Yamamoto, E. & Yasuoka, K., 2019 1 1, Methods in Molecular Biology. Humana Press Inc., p. 21-30 10 p. (Methods in Molecular Biology; 巻数 1947).

研究成果: Chapter

Ordering in clusters of uniaxial anisotropic particles during homogeneous nucleation and growth

Nozawa, T., Brumby, P. E., Ayuba, S. & Yasuoka, K., 2019 2 7, : : Journal of Chemical Physics. 150, 5, 054903.

研究成果: Article

公開
2018
2 引用 (Scopus)

Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations

Yuhara, D., Brumby, P. E., Wu, D. T., Sum, A. K. & Yasuoka, K., 2018 5 14, : : Journal of Chemical Physics. 148, 18, 184501.

研究成果: Article

3 引用 (Scopus)

Critical test of isotropic periodic sum techniques with group-based cut-off schemes

Nozawa, T., Yasuoka, K. & Takahashi, K. Z., 2018 12 1, : : Scientific reports. 8, 1, 4185.

研究成果: Article

2 引用 (Scopus)
8 引用 (Scopus)

Detection of Anomalous Dynamics for a Single Water Molecule

Tomobe, K. & Yasuoka, K., 2018 3 13, : : Journal of Chemical Theory and Computation. 14, 3, p. 1177-1185 9 p.

研究成果: Article

1 引用 (Scopus)

Kinetic analysis of homogeneous droplet nucleation using large-scale molecular dynamics simulations

Ayuba, S., Suh, D., Nomura, K., Ebisuzaki, T. & Yasuoka, K., 2018 7 28, : : Journal of Chemical Physics. 149, 4, 044504.

研究成果: Article

7 引用 (Scopus)

Molecular Dynamics Simulation of Ice Crystal Growth Inhibition by Hexadecyl-trimethyl-ammonium Bromide

Shimazu, N., Takaiwa, D., Suh, D., Kawaguchi, T., Fuse, T., Kaneko, T. & Yasuoka, K., 2018 8 7, : : Langmuir. 34, 31, p. 9330-9335 6 p.

研究成果: Article

Multi-step time series generator for molecular dynamics

Endo, K., Tomobe, K. & Yasuoka, K., 2018 1 1, 32nd AAAI Conference on Artificial Intelligence, AAAI 2018. AAAI press, p. 2192-2199 8 p.

研究成果: Conference contribution

3 引用 (Scopus)

Oxygen vacancy-originated highly active electrocatalysts for the oxygen evolution reaction

Hirai, S., Morita, K., Yasuoka, K., Shibuya, T., Tojo, Y., Kamihara, Y., Miura, A., Suzuki, H., Ohno, T., Matsuda, T. & Yagi, S., 2018 1 1, : : Journal of Materials Chemistry A. 6, 31, p. 15102-15109 8 p.

研究成果: Article

19 引用 (Scopus)

Phase behaviors of deeply supercooled bilayer water unseen in bulk water

Kaneko, T., Bai, J., Akimoto, T., Francisco, J. S., Yasuoka, K. & Zeng, X. C., 2018 5 8, : : Proceedings of the National Academy of Sciences of the United States of America. 115, 19, p. 4839-4844 6 p.

研究成果: Article

6 引用 (Scopus)

Self-assembly of peptide amphiphiles by vapor pressure osmometry and dissipative particle dynamics

Seki, T., Arai, N., Suh, D., Ozawa, T., Shimada, T., Yasuoka, K. & Hotta, A., 2018 1 1, : : RSC Advances. 8, 47, p. 26461-26468 8 p.

研究成果: Article

1 引用 (Scopus)

Structural determinants in the bulk heterojunction

Acocella, A., Höfinger, S., Haunschmid, E., Pop, S. C., Narumi, T., Yasuoka, K., Yasui, M. & Zerbetto, F., 2018 1 1, : : Physical Chemistry Chemical Physics. 20, 8, p. 5708-5720 13 p.

研究成果: Article

2 引用 (Scopus)
9 引用 (Scopus)
2017

Critical test of bead-spring model to resolve the scaling laws of polymer melts: A molecular dynamics study

Takahashi, K. Z., Yamato, N., Yasuoka, K. & Masubuchi, Y., 2017, : : Molecular Simulation. 43, 13-16, p. 1196-1201 6 p.

研究成果: Article

5 引用 (Scopus)
12 引用 (Scopus)

Dynamic interactions between a membrane binding protein and lipids induce fluctuating diffusivity

Yamamoto, E., Akimoto, T., Kalli, A. C., Yasuoka, K. & Sansom, M. S. P., 2017 1, : : Science Advances. 3, 1, e1601871.

研究成果: Article

24 引用 (Scopus)
3 引用 (Scopus)
25 引用 (Scopus)

Heterogeneous cavitation and crystallisation with an impurity by molecular dynamics

Suh, D. & Yasuoka, K., 2017 11 19, (Accepted/In press) : : Molecular Simulation. p. 1-4 4 p.

研究成果: Article

2 引用 (Scopus)

Molecular Dynamics Simulation of Water Nanodroplet Bounce Back from Flat and Nanopillared Surface

Koishi, T., Yasuoka, K. & Zeng, X. C., 2017 10 3, : : Langmuir. 33, 39, p. 10184-10192 9 p.

研究成果: Article

10 引用 (Scopus)

Molecular dynamics simulations for resolving scaling laws of polyethylene melts

Takahashi, K. Z., Nishimura, R., Yasuoka, K. & Masubuchi, Y., 2017, : : Polymers. 9, 1, 24.

研究成果: Article

15 引用 (Scopus)

Onset of static and dynamic universality among molecular models of polymers

Takahashi, K. Z., Nishimura, R., Yamato, N., Yasuoka, K. & Masubuchi, Y., 2017 12 1, : : Scientific reports. 7, 1, 12379.

研究成果: Article

10 引用 (Scopus)
3 引用 (Scopus)
2 引用 (Scopus)

Seed concentration effect on heterogeneous nucleation by molecular dynamics

Suh, D. & Yasuoka, K., 2017 1 1, : : Interfacial Phenomena and Heat Transfer. 5, 3 Special issue, p. 223-229 7 p.

研究成果: Article

Stability of excess electrons introduced by Ti interstitial in rutile TiO2(110) surface

Morita, K., Shibuya, T. & Yasuoka, K., 2017, : : Journal of Physical Chemistry C. 121, 3, p. 1602-1607 6 p.

研究成果: Article

12 引用 (Scopus)

Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces

Shibuya, T., Yasuoka, K., Mirbt, S. & Sanyal, B., 2017 6 1, : : Journal of Physical Chemistry C. 121, 21, p. 11325-11334 10 p.

研究成果: Article

7 引用 (Scopus)
11 引用 (Scopus)

Water permeation through the internal water pathway in activated GPCR rhodopsin

Tomobe, K., Yamamoto, E., Kholmurodov, K. & Yasuoka, K., 2017 5, : : PloS one. 12, 5, e0176876.

研究成果: Article

6 引用 (Scopus)
2016

1/f fluctuation and water permeation of aquaporins

Yamamoto, E. & Yasuoka, K., 2016 4 1, : : Kobunshi. 65, 4, p. 175-176 2 p.

研究成果: Article

2 引用 (Scopus)

Cage occupancy of methane hydrates from Gibbs ensemble Monte Carlo simulations

Brumby, P. E., Yuhara, D., Wu, D. T., Sum, A. K. & Yasuoka, K., 2016 4 15, : : Fluid Phase Equilibria. 413, p. 242-248 7 p.

研究成果: Article

20 引用 (Scopus)

Condensation on nanorods by molecular dynamics

Suh, D. & Yasuoka, K., 2016 6 28, : : Journal of Chemical Physics. 144, 24, 244702.

研究成果: Article

4 引用 (Scopus)
2 引用 (Scopus)
34 引用 (Scopus)