論文

• 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.
• 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.
• 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.

国際会議発表 (査読なし・不明)

• 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)

• 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.
• 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.

特許など

• 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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