• 4244 Citations
  • 37 h-Index
1994 …2020

Research output per year

If you made any changes in Pure these will be visible here soon.

Research Output

2016

Self-assembly behaviours of primitive and modern lipid membrane solutions: A coarse-grained molecular simulation study

Arai, N., Yoshimoto, Y., Yasuoka, K. & Ebisuzaki, T., 2016, In : Physical Chemistry Chemical Physics. 18, 28, p. 19426-19432 7 p.

Research output: Contribution to journalArticle

21 Citations (Scopus)

Self-Assembly of Janus Oligomers into Onion-like Vesicles with Layer-by-Layer Water Discharging Capability: A Minimalist Model

Arai, N., Yasuoka, K. & Zeng, X. C., 2016 Aug 23, In : ACS Nano. 10, 8, p. 8026-8037 12 p.

Research output: Contribution to journalArticle

26 Citations (Scopus)

Separation of water-ethanol solutions with carbon nanotubes and electric fields

Winarto, Takaiwa, D., Yamamoto, E. & Yasuoka, K., 2016 Jan 1, In : Physical Chemistry Chemical Physics. 18, 48, p. 33310-33319 10 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors

Shibuya, T., Skelton, J. M., Jackson, A. J., Yasuoka, K., Togo, A., Tanaka, I. & Walsh, A., 2016 Oct 1, In : APL Materials. 4, 10, 104809.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2015

A determination of liquid-vapour interfacial properties for methanol using a linear-combination-based isotropic periodic sum

Takahashi, K. & Yasuoka, K., 2015 Aug 13, In : Molecular Simulation. 41, 10-12, p. 795-800 6 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

A molecular dynamics study of guest-host hydrogen bonding in alcohol clathrate hydrates

Hiratsuka, M., Ohmura, R., Sum, A. K., Alavi, S. & Yasuoka, K., 2015 May 21, In : Physical Chemistry Chemical Physics. 17, 19, p. 12639-12647 9 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Analysis of crystal growth of methane hydrate using molecular dynamics simulation

Yuhara, D., Hiratsuka, M., Takaiwa, D. & Yasuoka, K., 2015 Aug 13, In : Molecular Simulation. 41, 10-12, p. 918-922 5 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Anomalous Dynamics of a Lipid Recognition Protein on a Membrane Surface

Yamamoto, E., Kalli, A. C., Akimoto, T., Yasuoka, K. & Sansom, M. S. P., 2015 Dec 14, In : Scientific reports. 5, 18245.

Research output: Contribution to journalArticle

24 Citations (Scopus)

Application of isotropic periodic sum method for 4-pentyl-4′-cyanobiphenyl liquid crystal

Nozawa, T., Takahashi, K., Kameoka, S., Narumi, T. & Yasuoka, K., 2015 Aug 13, In : Molecular Simulation. 41, 10-12, p. 927-935 9 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Approaches for Controlling the Temperature and Pressure Range in Generalized NPT Ensembles

Doi, H. & Yasuoka, K., 2015 Sep 8, In : Journal of Chemical Theory and Computation. 11, 9, p. 4370-4376 7 p.

Research output: Contribution to journalArticle

Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system

Nozawa, T., Takahashi, K. Z., Narumi, T. & Yasuoka, K., 2015 Dec 15, In : Journal of Computational Chemistry. 36, 32, p. 2406-2411 6 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

GPU-accelerated replica exchange molecular simulation on solid-liquid phase transition study of Lennard-Jones fluids

Nomura, K., Oikawa, M., Kawai, A., Narumi, T. & Yasuoka, K., 2015 Aug 13, In : Molecular Simulation. 41, 10-12, p. 874-880 7 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Heterogeneous nucleation of bubbles by molecular dynamics

Suh, D., Nakamura, M. & Yasuoka, K., 2015 Dec 3, In : Journal of Physics: Conference Series. 656, 1, 012037.

Research output: Contribution to journalConference article

3 Citations (Scopus)

Molecular dynamics simulation of heterogeneous nucleation on nanotubes

Suh, D., Yasuoka, K. & Zeng, X. C., 2015 Jan 1, In : RSC Advances. 5, 51, p. 40953-40963 11 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Nanoscale droplet vaporisation by molecular dynamics

Suh, D. & Yasuoka, K., 2015 Aug 13, In : Molecular Simulation. 41, 10-12, p. 896-904 9 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Nucleation rate analysis of methane hydrate from molecular dynamics simulations

Yuhara, D., Barnes, B. C., Suh, D., Knott, B. C., Beckham, G. T., Yasuoka, K., Wu, D. T. & Sum, A. K., 2015 Jul 1, In : Faraday Discussions. 179, p. 463-474 12 p.

Research output: Contribution to journalArticle

28 Citations (Scopus)

Origin of 1/f noise in hydration dynamics on lipid membrane surfaces

Yamamoto, E., Akimoto, T., Yasui, M. & Yasuoka, K., 2015 Mar 6, In : Scientific reports. 5, 8876.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Structures of water molecules in carbon nanotubes under electric fields

Winarto, Takaiwa, D., Yamamoto, E. & Yasuoka, K., 2015 Mar 28, In : Journal of Chemical Physics. 142, 12, 124701.

Research output: Contribution to journalArticle

25 Citations (Scopus)

Velocity auto-correlation function of ions and water molecules in different concentrations, anions and ion clusters

Tomobe, K., Yamamoto, E., Kojic, D., Yasui, M. & Yasuoka, K., 2015 Aug 13, In : Molecular Simulation. 41, 10-12, p. 840-844 5 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Vibrational spectra of deuterated methane and water molecules in structure i clathrate hydrate from ab initio MD simulation

Hiratsuka, M., Ohmura, R., Sum, A. K. & Yasuoka, K., 2015 Aug 13, In : Molecular Simulation. 41, 10-12, p. 813-817 5 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Water-methanol separation with carbon nanotubes and electric fields

Winarto, Takaiwa, D., Yamamoto, E. & Yasuoka, K., 2015 Aug 7, In : Nanoscale. 7, 29, p. 12659-12665 7 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)
2014
15 Citations (Scopus)

Bipolaron formation induced by oxygen vacancy at rutile TiO 2(110) surfaces

Shibuya, T., Yasuoka, K., Mirbt, S. & Sanyal, B., 2014 May 8, In : Journal of Physical Chemistry C. 118, 18, p. 9429-9435 7 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Effects of the Cu off-stoichiometry on transport properties of wide gap p -type semiconductor, layered oxysulfide LaCuSO

Goto, Y., Tanaki, M., Okusa, Y., Shibuya, T., Yasuoka, K., Matoba, M. & Kamihara, Y., 2014 Jan 1, In : Applied Physics Letters. 105, 2, 022104.

Research output: Contribution to journalArticle

17 Citations (Scopus)

From kesterite to stannite photovoltaics: Stability and band gaps of the Cu2(Zn,Fe)SnS4 alloy

Shibuya, T., Goto, Y., Kamihara, Y., Matoba, M., Yasuoka, K., Burton, L. A. & Walsh, A., 2014 Jan 13, In : Applied Physics Letters. 104, 2, 021912.

Research output: Contribution to journalArticle

48 Citations (Scopus)

Liquid-solid and solid-solid phase transition of monolayer water: High-density rhombic monolayer ice

Kaneko, T., Bai, J., Yasuoka, K., Mitsutake, A. & Zeng, X. C., 2014 May 7, In : Journal of Chemical Physics. 140, 18, 184507.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Observation of interstitial molecular hydrogen in clathrate hydrates

Grim, R. G., Barnes, B. C., Lafond, P. G., Kockelmann, W. A., Keen, D. A., Soper, A. K., Hiratsuka, M., Yasuoka, K., Koh, C. A. & Sum, A. K., 2014 Sep 26, In : Angewandte Chemie - International Edition. 53, 40, p. 10710-10713 4 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Origin of subdiffusion of water molecules on cell membrane surfaces

Yamamoto, E., Akimoto, T., Yasui, M. & Yasuoka, K., 2014 Apr 17, In : Scientific reports. 4, 4720.

Research output: Contribution to journalArticle

55 Citations (Scopus)

Poisson property of the occurrence of flip-flops in a model membrane

Arai, N., Akimoto, T., Yamamoto, E., Yasui, M. & Yasuoka, K., 2014 Jan 1, In : Journal of Chemical Physics. 140, 6, 064901.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Water confined in the local field of ions

Kojić, D., Tsenkova, R., Tomobe, K., Yasuoka, K. & Yasui, M., 2014 Dec 15, In : ChemPhysChem. 15, 18, p. 4077-4086 10 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
2013

Activation energy calculations for formamide-TiO2 and formamide-pt interactions in the presence of water

Dushanov, E., Kholmurodov, K. & Yasuoka, K., 2013 Apr 17, In : Open Biochemistry Journal. 7, 1, p. 33-43 11 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

A vesicle cell under collision with a Janus or homogeneous nanoparticle: Translocation dynamics and late-stage morphology

Arai, N., Yasuoka, K. & Zeng, X. C., 2013 Oct 7, In : Nanoscale. 5, 19, p. 9089-9100 12 p.

Research output: Contribution to journalArticle

43 Citations (Scopus)

Common force field thermodynamics of cholesterol

Giangreco, F., Yamamoto, E., Hirano, Y., Hodoscek, M., Knecht, V., Di Giosia, M., Calvaresi, M., Zerbetto, F., Yasuoka, K., Narumi, T., Yasui, M. & Höfinger, S., 2013, In : The Scientific World Journal. 2013, 207287.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Dynamic interactions of cations, water and lipids and influence on membrane fluidity

Kagawa, R., Hirano, Y., Taiji, M., Yasuoka, K. & Yasui, M., 2013 May 5, In : Journal of Membrane Science. 435, p. 130-136 7 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Homogeneous connectivity of potential energy network in a solidlike state of water cluster

Akimoto, T., Kaneko, T., Yasuoka, K. & Zeng, X. C., 2013 Jun 28, In : Journal of Chemical Physics. 138, 24, 244301.

Research output: Contribution to journalArticle

Kinetic analysis on nanoparticle condensation by molecular dynamics

Suh, D. & Yasuoka, K., 2013 Dec 3, In : Journal of Heat Transfer. 135, 10, 101002.

Research output: Contribution to journalArticle

5 Citations (Scopus)

MD simulations on the structure of onco-proteins p53: Wild-type and radioresistant mutant systems

Kholmurodov, K. T., Krasavin, E. A., Krylov, V. A., Dushanov, E. B., Korenkov, V. V., Yasuoka, K., Narumi, T., Ohno, Y., Taiji, M. & Ebisuzaki, T., 2013 Jan 1, Molecular Dynamics of Nanobiostructures. Nova Science Publishers, Inc., p. 179-208 30 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

MD studies of the structural and diffusion properties of formamide/water and ethanol/water mixtures on titanium and platinum surfaces

Dushanov, E., Kholmurodov, K., Yasuoka, K. & Krasavin, E., 2013 Dec 1, Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques. Nova Science Publishers, Inc., p. 13-34 22 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Molecular dynamics simulation of heterogeneous nucleation on nanorods

Suh, D., Yasuoka, K. & Zeng, X. C., 2013 May 14, Nucleation and Atmospheric Aerosols - 19th International Conference. p. 97-100 4 p. (AIP Conference Proceedings; vol. 1527).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Citations (Scopus)

Molecular dynamics simulation of vapor condensation on nanotubes

Suh, D., Yasuoka, K. & Zeng, X. C., 2013 Jan 1.

Research output: Contribution to conferencePaper

Molecular dynamics simulation of water adsorbed on ice nucleation protein

Murakami, D. & Yasuoka, K., 2013 Jan 1, Molecular Dynamics of Nanobiostructures. Nova Science Publishers, Inc., p. 163-177 15 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Molecular dynamics simulations of the DNA interaction with metallic nanoparticles and TiO2 surfaces

Kholmurodov, K. T., Dushanov, E. B., Krasavin, E. A., Hassan, H. K., ElHabashy, H. A., Galal, A., Sweilam, N. H. & Yasuoka, K., 2013 Dec 1, Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques. Nova Science Publishers, Inc., p. 167-200 34 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

3 Citations (Scopus)

Molecular insight into different denaturing efficiency of urea, guanidinium, and methanol: A comparative simulation study

Koishi, T., Yasuoka, K., Willow, S. Y., Fujikawa, S. & Zeng, X. C., 2013 Jun 11, In : Journal of chemical theory and computation. 9, 6, p. 2540-2551 12 p.

Research output: Contribution to journalArticle

18 Citations (Scopus)

New computational approach to determine liquid-solid phase equilibria of water confined to slit nanopores

Kaneko, T., Bai, J., Yasuoka, K., Mitsutake, A. & Zeng, X. C., 2013 Aug 13, In : Journal of chemical theory and computation. 9, 8, p. 3299-3310 12 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)

Petascale turbulence simulation using a highly parallel fast multipole method on GPUs

Yokota, R., Barba, L. A., Narumi, T. & Yasuoka, K., 2013 Mar 1, In : Computer Physics Communications. 184, 3, p. 445-455 11 p.

Research output: Contribution to journalArticle

36 Citations (Scopus)

Phase diagrams of confined solutions of dimyristoylphosphatidylcholine (DMPC) lipid and cholesterol in nanotubes

Arai, N., Yasuoka, K. & Zeng, X. C., 2013 Jun 1, In : Microfluidics and Nanofluidics. 14, 6, p. 995-1010 16 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
15 Citations (Scopus)

Structural and diffusion properties of formamide/water mixture interacting with TiO2 surface

Dushanov, E., Kholmurodov, K. & Yasuoka, K., 2013 Jan 1, In : Bioorganic Chemistry. 50, p. 11-16 6 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Understanding molecular motor walking along a microtubule: A themosensitive asymmetric Brownian motor driven by bubble formation

Arai, N., Yasuoka, K., Koishi, T., Ebisuzaki, T. & Zeng, X. C., 2013 Jun 12, In : Journal of the American Chemical Society. 135, 23, p. 8616-8624 9 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)