Publications 2018年 (11 papers) Hirai, H., Morita, K., Yasuoka, K., Shibuya, T., Tojo, Y., Kamihara, Y., Miura, A., Suzuki, H., Ohno, T., Matsuda, T., Yagi, S., "Oxygen vacancy-originated highly active electrocatalysts for the oxygen evolution reaction", Journal of Material Chemistry A, 6, 15102(2018). (8 pages.) DOI: 10.1039/C8TA04697B Takahashi, K. Z., Nozawa, T., and Yasuoka, K., "A fast and accurate computational method for the linear-combination-based isotropic periodic sum", Scientific Reports, 8, 11880(2018). (10 pages.) DOI: 10.1038/s41598-018-30364-2 Nozawa, T., Brumby, P. E., and Yasuoka, K., "Effect of Central Longitudinal Dipole Interaction on Chiral Liquid-Crystal Phases", Int. J. Mol. Sci., 19, 2715(2018). (22 pages.) DOI: 10.3390/ijms19092715 Ayuba, S., Nomura, K., Ebisuzuki, T., Yasuoka, K., "Kinetic analysis of homogenrous droplet nucleation using large-scale molecular dynamics simulations", Journal of Chemical Physics, 149, 044504(2018). (9 pages.) DOI: 10.1063/1.5037647 Endo, K., Tomobe, K., Yasuoka, K., "Multi-Step Time Series Generator for Molecular Dynamics", Thirty-Seond AAAI Conference on Artificial Intelligence, 32, 2192-2199(2018). (8 pages.) DOI: 10.1609/aaai.v32i1.11863 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). (6 pages.) 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). (14 pages.) 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). (4 pages.) 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). (13 pages.) 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). (9 pages.) 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). (9 pages.) DOI: 10.1038/s41598-018-22514-3