論文

• Keisuke Kameda, Sergei Manzhos, Manabu Ihara. Rechargeable direct carbon fuel cells combined with CO2 electrolysis for the charge using Ni/ Gd0.1Ce0.9O2-δ and Ni/(Y2O3)0.08(ZrO2)0.92 fuel electrodes, Apr. 2026.
• Manabu Ihara, Sergei Manzhos. Machine learning-enhanced Orbital-Free Density Functional Theory, J. Chem. Theory Comput, Mar. 2026.
• sergei manzhos, Manabu Ihara, Keisuke Kameda, Tengxiang Li, Ruicheng Li. A study of applicability of density functional tight binding – molecular mechanics approach for the calculation of optical properties, Feb. 2026.
• C. Zhang, M. Ihara, S. Manzhos, H. Wang. Macroscopically reversible modulation of the surface mechanical response of rutile TiO2 via transient lithiation, Ceramics International, 2026.
• Ruicheng Li, Keisuke Maeda, K. Kameda, M. Ihara*, S. Manzhos*. Informatics-guided computational design of polyaromatic hydrocarbons suitable for use as hole transport materials, J. Chem. Inform. Model., 2026.
• Sergei Manzhos. Gaussian Process Regression – Neural Network hybrid with optimized redundant coordinates: a new simple yet potent tool for scientist’s machine learning toolbox, 2026.

国際会議発表 (査読なし・不明)

• Sergei Manzhos. Machine-learning enhanced DFTB and OF-DFT for large-scale electronic structure calculations., May 2026.
• Sergei Manzhos. Machine-learning from sparse data in high-dimensional spaces: challenges, solutions, and applications to materials informatics., May 2026.
• MANZHOS SERGEI. Large-scale electronic structure based materials modeling: more realistic modeling and machine learning assisted progress, Computational modeling of materials in Thailand: from quantum chemistry to large-scale phenomena for realistic modeling of semiconductors, ceramics, alloys, and beyond, Mar. 2026.

国内会議発表 (査読なし・不明)

• MANZHOS SERGEI, 伊原 学. ニューラルネットワークと最適化された冗長座標における加法カーネルGPRのハイブリッド手法：堅牢で洞察力のある機械学習へ, 2026年度 人工知能学会全国大会（第40回）, June 2026.
• Manabu Ihara, Sergei Manzhos, Keisuke Kameda, Kexin Chen. Hybrid Density Functional Tight Binding (DFTB) - force field method to facilitate large scale electronic structure calculations: application to CO adsorption on nano-sized zirconia., Mar. 2026.
• Manabu Ihara, Sergei Manzhos, Keisuke Kameda, Tengxiang Li, Ruicheng Li. The role of bonding vs. nonbonding interactions and minute geometry changes on the optical spectra of charge transfer nanoaggregates computed with TD-DFTB., Mar. 2026.

特許など

• 伊原学, 亀田恵佑, MANZHOSSERGEI, 若宮大志郎, 遠藤明日香. 二次電池並びに該二次電池用の触媒及びその製造方法. 特許. 公開. 国立大学法人東京科学大学. 2025/08/27. PCT/JP2025/030129. 2026/03/05. WO 2026/048879. 2026.
• 伊原学, 亀田恵佑, MANZHOSSERGEI, 若宮大志郎, 吉田紗良. 二次電池並びに該二次電池用の負極材料及びその製造方法. 特許. 公開. 国立大学法人東京科学大学. 2025/08/27. PCT/JP2025/030128. 2026/03/05. WO 2026/048878. 2026.
• 伊原学, MANZHOSSERGEI, 亀田恵佑, 飯田雄太, 岡崎成美. 水素製造装置及び水素製造方法. 特許. 公開. 国立大学法人東京科学大学. 2025/07/04. PCT/JP2025/024115. 2026/01/08. WO 2026/009969. 2026.

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