Yasuoka Laboratory



Published Articles (Recent 10 papers)

last update : 12/26,2017

Kaneko, T., Bali J., Akimoto T., Fransisco J. S., Yasuoka K.,and Zeng X. C., "Phase behaviors of deeply supercooled bilayer water unseen in bulk water", Proceedings of the National Academy of Sciences, 19, 4839-4844(2018). DOI : 10.1073/pnas.1802342115

Morita K., and Yasuoka K, "Density functional theory study of atomic and electronic properties of defects in reduced anatase TiO2 nanocrystals", AIP Advances, 8, 035119(2018). DOI : 10.1063/1.5021024

Suh, D., and Yasuoka, K.,, "Heterogeneous cavitation and crystallisation with an impurity by molecular dynamics", Molecular Simulation, 44, 530-533(2018). DOI : 10.1080/08927022.2017.1402308

Acocella, A., Hofinger, S., Haunshmid, E., Pop, C., S., Narumi, T., Yasuoka, K., Yasui, M., Zerbetto, F., "Structural determinants in the bulk heterojunction", Phys. Chem. Chem. Phys., 20, 5708-5720(2018). DOI : 10.1039/C7CP08435H

Tomobe, K., Yasuoka, K., "Detection of Anomalous Dynamics for a Signle Water Molecule", Journal of Chemical Theory and Computation, 14, 3(2018). DOI : 10.1021/acs.jctc.7b01104

Nozawa, T., Yasuoka, K., and Takahashi, K. Z., "Critical test of isotropic periodic sum techniques with group-based cut-off schemes", Scientific Reports, 8, 4185(2018). DOI : 10.1038/s41598-018-22514-3

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Yuhara, D., Paul, E., B., David, T., W., Amadeu, K., S., 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). 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). DOI : 10.1126/sciadv.1701400

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