論文

2024

• “Survival of fragmentated BO₄ units in highly modified rare-earth-rich borate glasses” S. Sasaki, A. Masuno, Y. Yanaba, H. Inoue, T. Ohkubo, Inorg. Chem. (2024). doi:10.1021/acs.inorgchem.4c03264
• “Ab Initio Molecular Dynamics Study of Trivalent Rare Earth Rich Borate Glasses: Structural Insights and Formation Mechanisms” T. Ohkubo, S. Sasaki, A. Masuno, E. Tsuchida, J. Phys. Chem. B (2024). doi:10.1021/acs.jpcb.4c05039
• “¹H NMR T₁−T₂緩和相関測定に基づいたセメントペースト中のC-S-H および合成” 栗原 諒, 大窪 貴洋, 丸山 一平, セメント・コンクリート論文集, 77, 35-43 (2024). doi:10.14250/cement.77.35
• “Effect of Borate Substitution on Zinc Phosphate Glasses” H. Masai, T. Ohkubo, Y. Onodera, Y. Fujii, S. Shimono, and A. Koreeda, J. Ceram. Soc. Jpn. (2024). doi:10.2109/jcersj2.24096
• “Full-scale observation of drying-induced microstructure change in hardened cement paste by water and 2-propanol 1H-NMR relaxometry” R. Igami, R. Igami, G. Igarashi, A. Aili, R. Kurihara, T. Ohkubo, I. Maruyama, Cem. Concr. Res., 186, 107698-107714 (2024). doi:10.1016/j.cemconres.2024.107698
• “Plugging effect of fine pore water in OPC and LC3 paste during accelerated carbonation monitored via single-sided nuclear magnetic resonance spectroscopy” L. Cheng, R Kurihara, T. Ohkubo, R. Kitagaki, Y. Suda, A. Teramoto, I. Maruyama, Cem. Concr. Res., 186, 107688-107712 (2024). doi:10.2139/ssrn.4874923
• “Development and Validation of Neural Network Potentials for Multicomponent Oxide Glasses” R. Kayano, Y. Inagaki, R. Matsubara, K. Ishida. T. Ohkubo, J. Phys. Chem. C, 128, 17686-17702 (2024). doi:10.1021/acs.jpcc.4c04604
• “Relationship between ion irradiation-induced amorphization and volume expansion in quartz and feldspars for concrete aggregates” K. Murakami, L. Vu Nhut, H. Samouh, T. Ohkubo, S. Kano, M. Nishikawa, K. Suzuki, I. Maruyama, J. Nucl. Mater., 15, 155326-155331 (2024). doi:10.1016/j.jnucmat.2024.155326
• “Understanding Carbonation Phenomenon of C-S-H through Layer Structure Changes and Water Exchange” T. Uno, N. Saeki, I. Maruyama, Y. Suda, A. Teramoto, R. Kitagaki, and T. Ohkubo, J. Phys. Chem. C, 128, 11802-11816 (2024). doi:10.1021/acs.jpcc.4c01714
• “2D hexagonal assembly of a dipolar rotor with a close interval of 0.8 nm using a triptycene-based supramolecular scaffold” T. Ogawa, F. Ishiwari, F. Hajjaj, Y. Shoji, T. Kajitani, K. Yazawa, T. Ohkubo, and T. Fukushima, Chem. Sci., 15, 11021-11028 (2024). doi:10.1039/D4SC02750G
• “Geometrical and Chemical Effects of Water Diffusion in Silicate Gels: Molecular Dynamics and Random Walk Simulations” T. Hatori, R. Matsubara, Y. Inagaki, K. Ishida, and T. Ohkubo, J. Am. Ceram. Soc., 107, 7770-7783 (2024). doi:10.1111/jace.19935
• “Simultaneous Control of Aluminum Atoms and Defects in the MOR Zeolite Framework by Postsynthetic Treatments” Y. Fujikawa, T. Yoshioka, K. Iyoki, T. Ohkubo, T. Okubo, and T. Wakihara, J. Phys. Chem. C, 128, 9331–9344 (2024). doi:10.1021/acs.jpcc.4c01659
• “Magnetic Supramolecular Spherical Arrays: Direct Formation of Micellar Cubic Mesophase by Lanthanide Metallomesogens with 7-Coordination Geometry” N. Komiyama, T. Ohkubo, Y. Maeda, Y. Saeki, N. Ichikuni, H. Masu, H. Kanoh, K. Ohara, R. Takahashi, H. Wadati, H. Takagi, Y. Miwa, S. Kutsumizu, K. Kishikawa, and M. Kohri, Adv. Sci., 11, 2309226-2309235 (2024). doi:10.1002/advs.202309226
• “Synthesis and comprehensive analytical study of β-Li₃PS₄ stabilization by Ca- and Ba- co-doped Li₃PS₄” F. Baba, F. Utsuno, and T. Ohkubo, ACS Omega, 9, 12242-12253 (2024). doi:10.1021/acsomega.3c09952
• “Arrangement of Al ions between ionic liquid and graphite electrode interface by AFM force curve measurement” A. Tabo, H. Matsusima, T. Ohkubo, Kei Nishikawa, and M. Ueda, Electrochemistry, 92, 43011-43014 (2024). doi:10.5796/electrochemistry.23-69151
• “Theoretical Insights into ²⁷Al NMR Parameters of Binary Aluminosilicate Glass and Their Relationship to Atomic and Electronic Structure” T. Ohkubo, A. Masuno, E. Tsuchida, and S. Ohki, J. Phys. Chem. C, 128, 1298–1311 (2024). doi:10.1021/acs.jpcc.3c06292
• “Toroid-rod supramolecular polymorphism derived from conformational isomerism of π-conjugated system” C. Otsuka, S. Imai, T. Ohkubo, and S. Yagai, Chem. Comm., 60, 1108-1111 (2024). doi:10.1039/D3CC05492F
• “Natural Carbonation Process in Cement Paste Particles in Different Relative Humidities” N. Saeki, L. Cheng, R. Kurihara, T. Ohkubo, A. Teramoto, Y. Suda, R. Kitagaki, and I. Maruyama, Cem. Concr. Compos. , 146, 105400-105418 (2024). doi:10.1016/j.cemconcomp.2023.105400
• “Microstructural Analysis of Cement Paste Blended with Blast Furnace Slag using ¹H NMR Relaxometry” S. Joseph, M. Mutti, T. Ohkubo, I. Maruyama, O. Cizer, Cem. Concr. Compos. , 146, 105377-105382 (2024). doi:10.1016/j.cemconcomp.2023.105377
• “貴金属塩に関する文献の収集活動報告” 安田 幸司, 大窪 貴洋, 竹田 修, 夏井 俊悟, 関本 英弘, 溶融塩および高温化学, 67, 128-139 (2024).
• “計算科学ロードマップ 2023” HPCIコンソーシアム 計算科学フォーラム 編, , 417-418 (2024).

2023

• “Study of Mechanical Properties of Silicate Minerals by Molecular Dynamics Simulation” T. Fujimura, Y. Hakozaki, S. Sakuragi, Y Nakajima, K, Murakami, K. Suzuki, I. Maruyama, and T. Ohkubo, J. Adv. Concr. Technol., 21, 920-933 (2023). doi:10.3151/jact.21.920
• “Error Factors in Quantifying Inorganic Carbonate CO₂ in Concrete Materials” H. Takahashi, I. Maruyama, T. Ohkubo, R. Kitagaki, Y. Suda, A. Teramoto, K. Haga, and T. Nagase, J. Adv. Concr. Technol., 21, 789-802 (2023). doi:10.3151/jact.21.789
• “Supramolecular Polymer Polymorphism: Spontaneous Helix-Helicoid Transition through Dislocation of Hydrogen-Bonded π-Rosettes” C. Otsuka, S. Takahashi, A. Isobe, T. Saito, T. Aizawa, R. Tsuchida, S. Yamashita, K. Harano, H. Hanayama, N. Shimizu, H. Takagi, R. Haruki, L. Liu, M. Hollamby, T. Ohkubo, S. Yagai, J. Am. Chem. Soc., 145, 22563–22576 (2023). doi:10.1021/jacs.3c07556
• “Radiation-Induced Alteration of Sandstone Concrete Aggregate” I. Maruyama, A. Meawad, T. Kondo, S. Sawada, P. Halodova, A. Fedorikova, T. Ohkubo, K. Murakami, T. Igari, E. Tajuelo Rodriguez, K. Maekawa, K. Suzuki, J. Nucl. Mater., 583, 154547-154547 (2023). doi:10.1016/j.jnucmat.2023.154547
• “Molecular Dynamics Studies of the Ho(III) Aqua-Tris(Dibenzoylmethane) Complex: Role of Water Dynamics” T. Ohkubo, N. Komiyama, H. Masu, K. Kishikawa, M. Kohri, Inorg. Chem., 62, 11897-11909 (2023). doi:10.1021/acs.inorgchem.3c01277
• “Impact of Radiation-Induced Expansion of Aggregate on Structural Performance of Hollow Cylindrical Rc Member” D. Kambayashi, I. Maruyama, O. Kontani, S. Sawada, T. Ohkubo, K. Murakami, K. Suzuki, J. Adv. Concr. Technol., 21, 536-554 (2023). doi:10.3151/jact.21.536
• “Heterogeneous Aggregation of Humic Acids Studied by Small-Angle Neutron and X-ray Scattering” T. Saito, R. Motokawa, T. Ohkubo, D. Miura, T. Kumada, Environ. Sci. Technol., 57, 9802-9810 (2023). doi:10.1021/acs.est.3c02028
• “Tension Stiffening Affected by Radiation-Induced Volume Expansion of Aggregate” D. Kambayashi, I. Maruyama, O. Kontani, S. Sawada, T. Ohkubo, K. Murakami, K. Suzuki, J. Adv. Concr. Technol., 21, 351-366 (2023). doi:10.3151/jact.21.351
• “Micro- and Macro-Scale Mechanical Properties of Meta-Cherts as Concrete Aggregates” K. Maekawa, W. Wang, H. Samouh, S. Ishikawa, O. Kontani, T. Ohkubo, K. Murakami, K. Suzuki, I. Maruyama, J. Adv. Concr. Technol., 21, 284-293 (2023). doi:10.3151/jact.21.284
• “Lithium Ion Transport Environment by Molecular Vibrations in Ion-Conducting Glasses” H. Yamada, K. Ohara, S. Hiroi, A. Sakuda, K. Ikeda, T. Ohkubo, K. Nakada, H. Tsukasaki, H. Nakajima, L. Temleitner, L. Pusztai, S. Ariga, A. Matsuo, J. Ding, T. Nakano, T. Kimura, R. Kobayashi, T. Usuki, S. Tahara, K. Amezawa, Y. Tateyama, S. Mori, A. Hayashi, Energy Environ. Mater., 7, e12612-e12621 (2023). doi:10.1002/eem2.12612
• “New Approach to Understanding the Experimental ¹³³Cs NMR Chemical Shift of Clay Minerals via Machine Learning and DFT-GIPAW Calculations” T. Ohkubo, A. Takei, Y. Tachi, Y. Fukatsu, K. Deguchi, S. Ohki, T. Shimizu, J. Phys. Chem. A, 127, 973-986 (2023). doi:10.1021/acs.jpca.2c08880

2022

• “Radiation-Induced Alteration of Meta-Chert” I. Maruyama, T. Kondo, S. Sawada, P. Halodova, A. Fedorikova, T. Ohkubo, K. Murakami, T. Igari, E. Tajuelo Rodriguez, K. Suzuki, J. Adv. Concr. Technol., 20, 760-776 (2022). doi:10.3151/jact.20.760
• “Surface Area Changes in C3S Paste During the First Drying Analyzed by ¹H NMR Relaxometry” I. Maruyama, T. Fujimaki, R. Kurihara, G. Igarashi, T. Ohkubo, Cem. Concr. Res., 156, 106762-106770 (2022). doi:10.1016/j.cemconres.2022.106762
• “Elucidating the Atomic Structures of the Gel Layer Formed During Aluminoborosilicate Glass Dissolution: An Integrated Experimental and Simulation Study” K. Furutani, T. Ohkubo, J. Du, K. Ohara, K. Deguchi, S. Ohki, T. Shimizu, Y. Inagaki, R. Matsubara, K. Ishida, J. Phys. Chem. C, 126, 7999-8015 (2022). doi:10.1021/acs.jpcc.1c10463
• “Structural Analyses of Amorphous Calcium Carbonate before and after Removing Strontium Ions from an Aqueous Solution” Y. Shuseki, S. Kohara, K. Ohara, T. Ohkubo, K. Takei, M. G. Tucker, A. Kolesnikov, M. T. Mcdonnell, R. L. Sacci, J. C. Neuefeind, K. Takeuchi, J. Ceram. Soc. Jpn., 130, 225-231 (2022). doi:10.2109/jcersj2.21155
• “A New Universal Force-Field for the Li₂S-P₂S₅ System” S. Ariga, T. Ohkubo, S. Urata, Y. Imamura, T. Taniguchi, Phys. Chem. Chem. Phys., 24, 2567-2581 (2022). doi:10.1039/d1cp05393k

2021

• “Diffusion of Tritiated Water, ¹³⁷Cs⁺, and ¹²⁵I^– in Compacted Ca-Montmorillonite: Experimental and Modeling Approaches” Y. Fukatsu, K. Yotsuji, T. Ohkubo, Y. Tachi, Appl. Clay Sci., 211, 106176-106185 (2021). doi:10.1016/j.clay.2021.106176
• “Modified Li₇P₃S₁₁ Glass-Ceramic Electrolyte and its Characterization” K. Uchida, T. Ohkubo, F. Utsuno, K. Yazawa, ACS Appl. Mater. Interfaces, 13, 37071-37081 (2021). doi:10.1021/acsami.1c08507
• “Modeling the Structure and Dynamics of Lithium Borosilicate Glasses with Ab Initio Molecular Dynamics Simulations” T. Ohkubo, S. Urata, Y. Imamura, T. Taniguchi, N. Ishioka, M. Tanida, E. Tsuchida, L. Deng, J. Du, J. Phys. Chem. C, 125, 8080-8089 (2021). doi:10.1021/acs.jpcc.1c00309
• “Changes in Properties of Alpha-Quartz and Feldspars under 3 MeV Si-ion Irradiation” V. Nhut Luu, K. Murakami, H. Samouh, I. Maruyama, T. Ohkubo, P. Prak Tom, L. Chen, S. Kano, H. Yang, H. Abe, K. Suzuki, M. Suzuki, J. Nucl. Mater., 545, 152734-152740 (2021). doi:10.1016/j.jnucmat.2020.152734
• “Examination of Structure and Optical Properties of Ce³⁺-doped Strontium Borate Glass by Regression Analysis.” H. Masai, T. Ohkubo, Y. Fujii, A. Koreeda, T. Yanagida, T. Ina, K. Kintaka, Sci. Rep., 11, 3811-3811 (2021). doi:10.1038/s41598-021-83050-1
• “Low Melting Oxide Glasses Prepared at a Melt Temperature of 500 ℃” H. Masai, T. Nishibe, S. Yamamoto, T. Niizuma, N. Kitamura, T. Akai, T. Ohkubo, M. Yoshida, Sci. Rep., 11, 214-214 (2021). doi:10.1038/s41598-020-80424-9
• “Pore Distribution of Compacted Ca-Montmorillonite Using NMR Relaxometry and Cryoporometry: Comparison with Na-Montmorillonite” T. Ohkubo, A. Yamazaki, Y. Fukatsu, Y. Tachi, Microporous Mesoporous Mater., 313, 110841-110851 (2021). doi:10.1016/j.micromeso.2020.110841
• “ガラス中のイオン伝導パス解析” 浦田 新吾, 大窪 貴洋, セラミックス, 56, 623-626 (2021).

2020

• “Characterization of Irradiation-Induced Novel Voids in Alpha-Quartz” N. Okada, T. Ohkubo, I. Maruyama, K. Murakami, K. Suzuki, AIP Adv., 10, 125212-125221 (2020). doi:10.1063/5.0029299
• “Densities and Refractive Indices of Molten Alkali Iodides: Estimation of Electronic Polarizability of An Iodide Ion” Y. Iwadate, T. Ohkubo, J. Chem. Eng. Data, 65, 5240-5248 (2020). doi:10.1021/acs.jced.0c00411
• “Reply to Zhou Et Al.’s “A Discussion of the Paper “Dynamic Microstructural Evaluation of Hardened Cement Paste During First Drying Monitored by ¹H NMR Relaxometry””” I. Maruyama, T. Ohkubo, T. Haji, R. Kurihara, Cem. Concr. Res., 137, 106219-106224 (2020). doi:10.1016/j.cemconres.2020.106219
• “Correlation Between Structures and Physical Properties of Binary ZnO-P₂O₅ Glasses” H. Masai, Y. Onodera, S. Kohara, T. Ohkubo, A. Koreeda, Y. Fujii, M. Koshimizu, M. Yamawaki, Phys. Status Solidi B, 257, 2000186-2000194 (2020). doi:10.1002/pssb.202000186
• “Temperature-Dependent Water Redistribution from Large Pores to Fine Pores after Water Uptake in Hardened Cement Paste” R. Kiran, H. Samouh, G. Igarashi, T. Haji, T. Ohkubo, S. Tomita, I. Maruyama, J. Adv. Concr. Technol., 18, 588-599 (2020). doi:10.3151/jact.18.588
• “Meso-Scale Modelling of the Mechanical Properties of Concrete Affected by Radiation-Induced Aggregate Expansion” H. Sasano, I. Maruyama, S. Sawada, T. Ohkubo, K. Murakami, K. Suzuki, J. Adv. Concr. Technol., 18, 648-677 (2020). doi:10.3151/jact.18.651
• “Photocatalytic Hydrogen Generation of Monolithic Porous Titanium Oxide-based Glass-Ceramics” H. Masai, H. Sakurai, A. Koreeda, Y. Fujii, T. Ohkubo, T. Miyazaki, T. Akai, Sci. Rep., 10, 11615-11615 (2020). doi:10.1038/s41598-020-68410-7
• “Lithium Conduction and the Role of Alkaline Earth Cations in Li₂S-P₂S₅-MS (M = Ca, Sr, Ba) Glasses” K. Hamabe, F. Utsuno, T. Ohkubo, J. Non-Cryst. Solids, 538, 120025-120030 (2020). doi:10.1016/j.jnoncrysol.2020.120025
• “Conduction Mechanism in 70Li₂S-30P₂S₅ Glass by Ab Initio Molecular Dynamics Simulations: Comparison with Li₇P₃S₁₁ Crystal” T. Ohkubo, K. Ohara, E. Tsuchida, ACS Appl. Mater. Interfaces, 12, 25736-25747 (2020). doi:10.1021/acsami.0c03002
• “Activity Report on Information-Gathering of Database Literatures for Molten Salts” K. Yasuda, T. Ohkubo, O. Takeda, S. Natsui, H. Sekimoto, Electrochemistry, 88, 243-252 (2020). doi:10.5796/electrochemistry.20-00058
• “第一原理分子動力学計算によるガラスの研究” 大窪 貴洋, New Glass, 129, 8-11 (2020).
• “溶融塩に関するデータベース文献の収集活動報告” 安田 幸司, 大窪 貴洋, 竹田 修, 夏井 俊悟, 関本 英弘, 溶融塩および高温化学, 63, 25-36 (2020).

2019

• “X-Ray Absorption Near-Edge Structure of Ag Cations in Phosphate Glasses for Radiophotoluminescence Applications” H. Masai, M. Koshimizu, H. Kawamoto, T. Ohkubo, A. Koreeda, Y. Fujii, K. Ohara, H. Ofuchi, H. Setoyama, J. Ceram. Soc. Jpn., 127, 924-930 (2019). doi:10.2109/jcersj2.19176
• “Dynamic Microstructural Evolution of Hardened Cement Paste During First Drying Monitored by ¹H NMR Relaxometry” I. Maruyama, T. Ohkubo, T. Haji, R. Kurihara, Cem. Concr. Res., 122, 107-117 (2019). doi:10.1016/j.cemconres.2019.04.017
• “第一原理分子動力学計算による固体電解質の研究” 大窪 貴洋, 溶融塩および高温化学, 62, 178-185 (2019).

2018

• “New Insights into the Cs Adsorption on Montmorillonite Clay from ¹³³Cs Solid-State NMR and Density Functional Theory Calculations” T. Ohkubo, T. Okamoto, K. Kawamura, R. Guegan, K. Deguchi, S. Ohki, T. Shimizu, Y. Tachi, Y. Iwadate, J. Phys. Chem. A, 122, 9326-9337 (2018). doi:10.1021/acs.jpca.8b07276
• “Structural Roles of V and Mo in Borate and Silicate Glasses by Solid State NMR and Raman Spectroscopies” K. Tsuryu, T. Ohkubo, T. Kakihara, Y. Iwadate, Phys. Chem. Glasses-B, 59, 234-240 (2018). doi:10.13036/17533562.59.5.028
• “Structural Behaviour of Vanadium Ions in Alkali Borosilicate Glass for Nuclear Waste Storage” M. Suzuki, N. Umesaki, T. Tanaka, T. Ohkubo, T. Kakihara, T. Hashimoto, H. Kawashima, Phys. Chem. Glasses-B, 59, 181-192 (2018). doi:10.13036/17533562.59.4.027
• “Correlation Between Emission Properties, Valence States of Ce and Chemical Compositions of Alkaline Earth Borate Glasses” A. Torimoto, H. Masai, G. Okada, N. Kawaguchi, T. Yanagida, T. Ohkubo, J. Lumin., 197, 98-103 (2018). doi:10.1016/j.jlumin.2017.12.068
• “Li Conduction Pathways in Solid-State Electrolytes: Insights from Dynamics and Polarizability” T. Takahashi, K. Nagagiri, Y. Iwadate, F. Utsuno, H. Yamaguchi, T. Ohkubo, Chem. Phys. Lett., 698, 234-239 (2018). doi:10.1016/j.cplett.2018.03.014
• “Insights from ab initio Molecular Dynamics Simulations for a Multicomponent Oxide Glass” T. Ohkubo, E. Tsuchida, K. Deguchi, S. Ohki, T. Shimizu, T. Otomo, Y. Iwadate, J. Am. Ceram. Soc., 101, 1122-1134 (2018). doi:10.1111/jace.15269
• “Molecular Dynamics Simulation of Water Confinement in Disordered Aluminosilicate Subnanopores” T. Ohkubo, S. Gin, M. Collin, Y. Iwadate, Sci. Rep., 8, 3761-3761 (2018). doi:10.1038/s41598-018-22015-3
• “Magnesiothermic Reduction of Silicon Dioxide to Obtain Fine Silicon Powder in Molten Salt Media: Analysis of Reduction Mechanism” Y. Iwadate, K. Ohgane, T. Ohkubo, Electrochemistry, 86, 198-201 (2018). doi:10.5796/electrochemistry.17-00090
• “Molecular Dynamics Simulations of the Thermal and Transport Properties of Molten NaNO₂-NaNO₃ Systems” T. Ohkubo, R. Ohnishi, V. Sarou-Kanian, C. Bessada, Y. Iwadate, Electrochemistry, 86, 104-108 (2018). doi:10.5796/electrochemistry.17-00094
• “固体核磁気共鳴（NMR）によるスラグ・セメント材料の解析” 髙橋 貴文, 大窪 貴洋, 金橋 康二, コンクリート工学, 56, 454-459 (2018). doi:10.3151/coj.56.5_454
• “二次元ラプラス逆変換プログラム” 大窪 貴洋, NMR学会機関誌, 9, 92-98 (2018).

2017

• “Electrical Conductivity of Molten DyCl₃-NaCl and DyCl₃-KCl Systems: An Approach to Structural Interpretations of Rare Earth Chloride Melts” Y. Iwadate, T. Ohkubo, Z. Naturforsch. A, 72, 1105-1112 (2017). doi:10.1515/zna-2017-0250
• “Carbon Materials with Controlled Edge Structures” Y. Yamada, S. Gohda, K. Abe, T. Togo, N. Shimano, T. Sasaki, H. Tanaka, H. Ono, T. Ohba, S. Kubo, T. Ohkubo, S. Sato, Carbon, 122, 694-701 (2017). doi:10.1016/j.carbon.2017.07.012
• “Emission Properties of Ce³⁺ Centers in Barium Borate Glasses Prepared from Different Precursor Materials” A. Torimoto, H. Masai, G. Okada, N. Kawaguchi, T. Yanagida, T. Ohkubo, Opt. Mater., 72, 52-57 (2017). doi:10.1016/j.optmat.2017.03.062
• “Luminescence of Sn²⁺ Center in Oxide Glass with A Tendency Toward Phase Separation” H. Masai, S. Okumura, T. Ohkubo, T. Yanagida, Opt. Mater. Express, 7, 2993-3002 (2017). doi:10.1364/OME.7.002993
• “Formation of Metallic Cation-Oxygen Network for Anomalous Thermal Expansion Coefficients in Binary Phosphate Glass” Y. Onodera, S. Kohara, H. Masai, A. Koreeda, S. Okamura, T. Ohkubo, Nat. Commun., 8, 15449-15449 (2017). doi:10.1038/ncomms15449
• “Hydration of Bombyx Mori Silk Cocoon, Silk Sericin and Silk Fibroin and Their Interactions with Water as Studied by ¹³C NMR and ²H NMR Relaxation.” T. Asakura, M. Endo, Y. Tasei, T. Ohkubo, T. Hiraoki, J. Mater. Chem. B, 5, 1624-1632 (2017). doi:10.1039/c6tb03266d
• “Electronic Polarisability of NaNO₂-NaNO₃ and NaOH-NaNO₃ Ionic Melts and Effective Ionic Radius of OH^–” Y. Iwadate, R. Ohnishi, T. Ohkubo, Z. Naturforsch. A, 72, 71-76 (2017). doi:10.1515/zna-2016-0278
• “NMR Studies of Water Dynamics During Sol-To-Gel Transition of Poly (N-Isopropylacrylamide) in Concentrated Aqueous Solution” S. Kametani, S. Sekine, T. Ohkubo, T. Hirano, K. Ute, H. N. Cheng, T. Asakura, Polymer, 109, 287-296 (2017). doi:10.1016/j.polymer.2016.12.063
• “X-ray-induced Luminescence of SnO-SrO-B₂O₃ Glasses Prepared under Different Preparation Conditions” H. Masai, T. Yanagida, G. Okada, A. Koreeda, T. Ohkubo, Sens. Mater., 29, 1391-1398 (2017). doi:10.18494/SAM.2017.1618
• “亜鉛リン酸塩ガラスにおける熱膨張係数異常に資するカチオン-酸素ネットワーク” 小野寺 陽平, 小原 真司, 正井 博和, 是枝 聡肇, 大窪 貴洋, New Glass, 32, 25-29 (2017).
• “ガラスの第一原理分子動力学計算” 大窪 貴洋, 無機マテリアル学会誌, 24, 345-350 (2017).

2016

• “Photoluminescence of Sn²⁺-centre as Probe of Transient State of Supercooled Liquid” H. Masai, A. Koreeda, Y. Fujii, T. Ohkubo, S. Kohara, Opt. Mater. Express, 6, 1827-1836 (2016). doi:10.1364/OME.6.001827
• “Pore Distribution of Water-Saturated Compacted Clay Using NMR Relaxometry and Freezing Temperature Depression; Effects of Density and Salt Concentration” T. Ohkubo, M. Ibaraki, Y. Tachi, Y. Iwadate, Appl. Clay Sci., 123, 148-155 (2016). doi:10.1016/j.clay.2016.01.014
• “Ab Initio Molecular Dynamics Simulations and GIPAW NMR Calculations of a Lithium Borate Glass Melt” T. Ohkubo, E. Tsuchida, T. Takahashi, Y. Iwadate, J. Phys. Chem. B, 120, 3582-3590 (2016). doi:10.1021/acs.jpcb.6b00381
• “二重共鳴核磁気共鳴法を利用したガラスの構造研究” 大窪 貴洋, New Glass, 31, 28-32 (2016).

2015

• “Structural Investigation of Aluminoborosilicate Glasses Containing Na₂MoO₄ Crystallites by Solid State NMR” T. Ohkubo, R. Monden, Y. Iwadate, S. Kohara, K. Deguchi, S. Ohki, T. Shimizu, Phys. Chem. Glasses-B, 56, 139-144 (2015). doi:10.13036/17533562.56.4.139
• “Changes in Surface Structure of Sodium Aluminoborosilicate Glasses During Aqueous Corrosion Analyzed by Using NMR” T. Ohkubo, Y. Iwadate, K. Deguchi, S. Ohki, T. Shimizu, J. Phys. Chem. Solids, 77, 164-171 (2015). doi:10.1016/j.jpcs.2014.10.018
• “An Adaptive Finite-Element Method for Large-Scale ab Initio Molecular Dynamics Simulations” E. Tsuchida, Y. Choe, T. Ohkubo, Phys. Chem. Chem. Phys., 17, 31444-31452 (2015). doi:10.1039/c5cp00320b
• “¹H NMRを用いたセメント硬化体の細孔構造分析” 米村 美紀, 北垣 亮馬, 大窪 貴洋, 金 志訓, コンクリート工学年次論文集, 37, 511-516 (2015). https://data.jci-net.or.jp/data_pdf/37/037-01-1080.pdf
• “高レベル放射性廃棄物の地層処分を支える無機材料と安全評価研究” 大窪 貴洋, 無機マテリアル学会誌, 22, 402-407 (2015).

2014

• “Time-Dependent Born Charges of Lithium Borate Melts by Ab Initio Molecular Dynamics” T. Ohkubo, E. Tsuchida, Y. Iwadate, Chem. Phys. Lett., 612, 68-72 (2014). doi:10.1016/j.cplett.2014.08.008
• “Ionic Conductivity and Molecular Structure of a Molten xZnBr₂-(1-x)ABr (A = Li, Na, K) System” T. Ohkubo, T. Tahara, K. Takahashi, Y. Iwadate, Molten Salts Chemistry and Technology, 149-157 (2014). doi:10.1002/9781118448847.ch3a
• “Pulsed Neutron Diffraction Study of Molten CsCl-NaCl-YCl₃: Approaches from Fundamentals to Pyrochemical Reprocessing” Y. Iwadate, T. Ohkubo, T. Michii, H. Matsuura, A. Kajinami, K. Takase, N. Ohtori, N. Umesaki, R. Fujita, K. Mizuguchi, H. Kofuji, M. Myochin, M. Misawa, K. Itoh, T. Fukunaga, Molten Salts Chemistry and Technology, 449-458 (2014). doi:10.1002/9781118448847.ch6f
• “ラプラス逆変換と分析化学” 大窪 貴洋, ぶんせき, 11, 639-640 (2014).

2013

• “First-principles Molecular Dynamics Simulation and Conductivity Measurements of a Molten xLi₂O-(1-x)B₂O₃ System” T. Ohkubo, E. Tsuchida, M. Gobet, V. Sarou-Kanian, C. Bessada, Y. Iwadate, J. Phys. Chem. B, 117, 5668-5674 (2013). doi:10.1021/jp312486m
• “¹H核磁気共鳴法によるセメント中の微細空隙構造の経時的観察” 古瀬 佑馬, 高橋 貴文, 田中 徹, 大窪 貴洋, コンクリート工学論文集, 24, 67-73 (2013). doi:10.3151/crt.24.67
• “The Local Structure of Liquid TiCl₄ Analyzed by X-Ray Diffraction and Raman Spectroscopy” Y. Iwadate, T. Ohkubo, Z. Naturforsch. A, 68, 66-72 (2013). doi:10.5560/ZNA.2012-0094
• “緩和と拡散を利用した核磁気共鳴法による多孔質材料の研究” 大窪 貴洋, 岩舘 泰彦, 溶融塩および高温化学, 56, 128-136 (2013).
• “ガラス固化体のキャラクタリゼーションとガラス溶解現象の基礎的研究” 大窪 貴洋, 平成23年度放射性廃棄物重要基礎技術研究調査最終報告書, 91-122 (2013).

2012

• “Deconvolution and Estimation of Water Diffusion in Sulfonated Polyethersulfone Membranes Using Diffusion-Weighted Inversion Recovery” T. Ohkubo, A. Ohira, Y. Iwadate, J. Phys. Chem. Lett., 3, 1030-1034 (2012). doi:10.1021/jz3002458
• “Self-diffusion Coefficient of Lithium in Molten xLi₂O-(1-x)B₂O₃ System Using High-Temperature PFG NMR” T. Ohkubo, M. Gobet, V. Sarou-Kanian, C. Bessada, M. Nozawa, Y. Iwadate, Chem. Phys. Lett., 530, 61-63 (2012). doi:10.1016/j.cplett.2012.01.076
• “Molecular Dynamics Simulations of Nafion and Sulfonated Poly Ether Sulfone Membranes II. Dynamic Properties of Water and Hydronium” T. Ohkubo, K. Kidena, N. Takimoto, A. Ohira, J. Mol. Model., 18, 533-540 (2012). doi:10.1007/s00894-011-1091-7
• “Development of a Squid-based Low-Field NMR/MRI System” M. Miyamoto, J. Hatta, D. Oyama, Y. Adachi, J. Kawai, G. Uehara, T. Ohkubo, Physics Procedia, 36, 162-165 (2012). doi:10.1016/j.phpro.2012.06.064
• “「アクチニド元素の化学と工学」専門研究会報告書” 大窪 貴洋, 「アクチニド元素の化学と工学」専門研究会報告書, 27-38 (2012).

2011

• “Understanding Properties of Copoly(Arylene Ether Nitrile)s High-Performance Polymer Electrolyte Membranes for Fuel Cells from Molecular Dynamics Simulations” T. Ohkubo, Y. Iwadate, Y. Seung Kim, N. Henson, Y. Choe, Theor. Chem. Acc., 130, 555-561 (2011). doi:10.1007/s00214-011-1056-z
• “Molecular Dynamics Simulations of Nafion and Sulfonated Polyether Sulfone Membranes. I. Effect of Hydration on Aqueous Phase Structure” T. Ohkubo, K. Kidena, N. Takimoto, A. Ohira, J. Mol. Model., 17, 739-755 (2011). doi:10.1007/s00894-010-0767-8

2010

• “PFG-NMR Approach to Determining the Water Transport Mechanism in Polymer Electrolyte Membranes Conditioned at Different Temperatures” K. Kidena, T. Ohkubo, N. Takimoto, A. Ohira, Eur. Polym. J., 46, 450-455 (2010). doi:10.1016/j.eurpolymj.2009.12.012

2009

• “Time-dependent Diffusion Coefficient of Proton in Polymer Electrolyte Membrane” T. Ohkubo, K. Kidena, A. Ohira, Diffusion fundamentals, 10, 211-213 (2009). https://ul.qucosa.de/api/qucosa%3A14112/attachment/ATT-0/
• “Pulsed Neutron Diffraction Study of NaNO₂ and KNO₂ Pure Melts” Y. Iwadate, T. Harada, T. Ohkubo, K. Fukushima, M. Misawa, T. Fukunaga, K. Itoh, Electrochemistry, 77, 741-744 (2009). doi:10.5796/electrochemistry.77.741
• “Structural and Dynamical Properties of the Water Molecules in Polyelectrolyte Membranes. A Study Combining Molecular Dynamics Simulation and NMR Relaxation” T. Ohkubo, K. Kidena, N. Takimoto, A. Ohira, Proceedings of International Fuel Cell Workshop, 308-311 (2009).

2008

• “Determination of a Micron-Scale Restricted Structure in a Perfluorinated Membrane from Time-dependent Self-Diffusion Measurements” T. Ohkubo, K. Kidena, A. Ohira, Macromolecules, 41, 8688-8693 (2008). doi:10.1021/ma801331e
• “Tortuosity Based on Anisotropic Diffusion Process in Structured Plate-like Obstacles by Monte Carlo Simulation” T. Ohkubo, Transp. Porous Media, 72, 339-350 (2008). doi:10.1007/s11242-007-9153-0
• “An Approach of NMR Relaxometry for Understanding Water in Saturated Compacted Bentonite” T. Ohkubo, H. Kikuchi, M. Yamaguchi, Phys. Chem. Earth., 33, 169-176 (2008). doi:10.1016/j.pce.2008.10.042
• “岩盤亀裂へ侵入したベントナイトの核種遅延性能の評価” 大窪 貴洋, JAEA-Review, 27, 26-29 (2008).

2007

• “High Resolution Solid-State NMR Studies on Dissolution and Alteration of Na-Montmorillonite under Highly Alkaline Conditions” T. Takahashi, T. Ohkubo, K. Suzuki, Y. Ikeda, Microporous Mesoporous Mater., 106, 284-297 (2007). doi:10.1016/j.micromeso.2007.03.008

2006

• “Montmorillonite Alignment Induced by Magnetic Field: Evidence Based on the Diffusion Anisotropy of Water Molecules” T. Takahashi, T. Ohkubo, Y. Ikeda, J. Colloid Interface Sci., 299, 196-203 (2006). doi:10.1016/j.jcis.2006.01.049
• “Time-dependent Diffusion of Water in Clay Gel Saturated Porous Media” T. Ohkubo, M. Yamaguchi, Magn. Reson, Imag., 25, 57-58 (2006).

2004

• “A Study on Hydration Behaviors of Interlayer Cations in Montmorillonite by Solid State NMR” T. Ohkubo, K. Saito, K. Kanehashi, Y. Ikeda, Sci. Technol. Adv. Mater., 5, 693-696 (2004). doi:10.1016/j.stam.2004.02.016

2003

• “Observation of Two 4-Coordinated Al Sites in Montmorillonite Using High Magnetic Field Strength ²⁷Al MQMAS NMR” T. Ohkubo, K. Kanehashi, K. Saito, Y. Ikeda, Clays Clay Miner., 51, 513-518 (2003). doi:10.1346/ccmn.2003.0510505
• “Structural Analyses of Layer Structure in Na-Montmorillonite Using NMR” T. Ohkubo, K. Kanehashi, K. Saito, Y. Ikeda, MRS Proceedings, 807, 729-734 (2003). doi:10.1557/proc-807-729