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J-GLOBAL ID：200901037613464513   Update date: Apr. 17, 2025

Yumura Takashi

ユムラ タカシ | Yumura Takashi
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Affiliation and department：
Kyoto Institute of Technology Kyoto Institue of Technology

About Kyoto Institute of Technology Kyoto Institue of Technology


Job title： Professor
Research field  (3)： Basic physical chemistry ,  Nanostructure physics ,  Nanostructure chemistry
Research keywords  (4)： 計算化学 ,  量子化学 ,  computational chemistry ,  quantum chemistry
Research theme for competitive and other funds  (11)：
  • 2018 - 2021 Controlling molecular orientation of Stilbene-derivatives by utilizing one-dimensional nano space: Toward constructing novel wavelength-conversion devices
  • 2015 - 2017 遷移金属含有ゼオライトを用いた生体酵素模倣触媒の創製における計算化学的アプローチ
  • 2014 - 2017 Study of intercalation mechanism and state of sodium into nanopores in carbon materials
  • 2014 - 2017 Designing visible-response switches based on carbon nanotubes containing pi-conjugated molecules
  • 2011 - 2013 Theoretical study on elucidation of the mechanism of oxygen reduction reaction and development of carbon alloy electrodes.
Show all
Papers (102)：
  • Chihiro Okochi, Ryoto Inaba, Takashi Yumura, Kensuke Naka, Hiroaki Imoto. Sequential Oxygen Transfer via Oxidation of Arsine and Reduction of Arsine Oxide. Asian Journal of Organic Chemistry. 2025
  • Tomoki Yasui, Akane Chishiro, Masato Sakabe, Soichi Sato, Takashi Yumura, Kenji Kanaori, Kensuke Naka, Hiroaki Imoto. A Stable hexacoordinated arsenic(V) dication. European Journal of Inorganic Chemistry. 2025
  • Takanobu Kajino, Shugoro Tsutsumi, Shuji Nagata, Nao Kondo, Takashi Yumura, Toyokazu Tanabe, Saburo Hosokawa. Metal-Support Interaction between Pd Oxide and YCoO3 Effective for NO Reduction with CO and C3H6. The Journal of Physical Chemistry C. 2024
  • Qi Chen, Rie Suizu, Yoshiaki Shuku, Haruka Omachi, Michio M. Matsushita, Shuta Fukuura, Takashi Yumura, Shunji Bandow, Kunio Awaga. Unveiling π-π interactions in triptycene-phenazine/SWCNT redox chemistry using ESR spectroscopy. Journal of Materials Chemistry A. 2024
  • Shuta Fukuura, Yohei Nishidate, Takashi Yumura. Performance of Particle Swarm Optimization in Predicting the Orientation of π-Conjugated Molecules Inside Carbon Nanotubes Compared with Density Functional Theory Calculations. The Journal of Physical Chemistry A. 2024
ｍore...
MISC (13)：
  • 稲葉凌斗, 行安純哉, 湯村尚史, 井本裕顕, 中建介. Development of Catalytic Arsa-Wittig Reaction and Design Strategy of Arsenic Catalyst. 日本化学会春季年会講演予稿集(Web). 2023. 103rd
  • 福浦秀太, 湯村尚史, 西舘陽平. Particle swarm optimization with Lennard-Jones potential: A promising alternative to density functional theory calculations for optimizing host-guest material geometry. 分子科学討論会講演プログラム&要旨(Web). 2023. 17th
  • FUKUURA Shuta, YUMURA Takashi, NISHIDATE Yohei. Exploration of stable structures of host guest materials: A comparison with density functional theory calculations and particle swarm optimization. 日本化学会春季年会講演予稿集(Web). 2023. 103rd
  • 福浦秀太, 湯村尚史. Modulating regioselectivity of 1,3-dipolar cycloaddition by carbon nanotube confinements: A dispersion-corrected density functional theory study. 日本化学会春季年会講演予稿集(Web). 2022. 102nd
  • 千代茜絵, 小西将史, 稲葉凌斗, 湯村尚史, 井本裕顕, 井本裕顕, 中建介, 中建介. Development of Stille Coupling Reactions with C3-symmetrical Arsenic Ligands. 日本化学会春季年会講演予稿集(Web). 2021. 101st
ｍore...
Books (2)：
  • Density Functional Theory Studies on Chemical Reactions in Nanocarbon Materials. Yumura, T. Density Functional Theory Studies on Fullerenes and Nanotubes. edited by Basiuk, V. A. and Irle, S., 367-389. (Chapter 9)
    Research Singpost, Kerala, India, 2008
  • Density Functional Theory Studies on Chemical Reactions in Nanocarbon Materials. Density Functional Theory Studies on Fullerenes and Nanotubes. edited by Basiuk, V. A. and Irle, S. 367-389. (Chapter 9)
    Research Singpost, Kerala, India, 2008
Education (2)：
  • - 2003 Kyoto University
  • - 1998 Kyoto University Faculty of Engineering
Professional career (1)：
  • 博士 (工学) (京都大学)
※ Researcher’s information displayed in J-GLOBAL is based on the information registered in researchmap. For details, see here.

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