Research theme for competitive and other funds (1):
2015 - 2018 複雑反応経路網に適用し得る速度解析法の開発
Papers (18):
Maki Nakatani, Satoru Fukamachi, Pablo Solís-Fernández, Satoshi Honda, Kenji Kawahara, Yuta Tsuji, Yosuke Sumiya, Mai Kuroki, Kou Li, Qiunan Liu, et al. Ready-to-transfer two-dimensional materials using tunable adhesive force tapes. Nature Electronics. 2024
Amit Shrestha, Yosuke Sumiya, Kazuki Okazawa, Takahiro Uwabe, Kazunari Yoshizawa. Molecular Understanding of Adhesion of Epoxy Resin to Graphene and Graphene Oxide Surfaces in Terms of Orbital Interactions. Langmuir. 2023. 39. 15. 5514-5526
T. Uwabe, Y. Sumiya, Y. Tsuji, S. Nakamura, K. Yoshizawa. Elucidating the effects of chemisorbed water molecules on the ad-hesive interactions of epoxy resin to γ-alumina surfaces. Langmuir. 2023
Yosuke Sumiya, Yuta Tsuji, Kazunari Yoshizawa. Shear adhesive strength between epoxy resin and copper surfaces: a density functional theory study. Phys. Chem. Chem. Phys. 2022
Yosuke Sumiya, Yuta Tsuji, Kazunari Yoshizawa. Peel Adhesion Strength between Epoxy Resin and Hydrated Silica Surfaces: A Density Functional Theory Study. ACS Omega. 2022. 7. 20. 17393-17400
住谷 陽輔, 辻 雄太, 上部 岳洋, 吉澤 一成. 量子化学計算によるエポキシ樹脂の引張・せん断・はく離接着力の総合解析と分子論的理解-Comprehensive Analysis and Molecular Understanding of Tensile, Shear, and Peel Adhesive Force of Epoxy Resin Based on Quantum Chemical Calculations. 塗装工学 = Journal of Japan Coating Technology Association / 「塗装工学」編集委員会 編. 2023. 58. 3. 88-95
Conformational entropy of claisen rearrangement calculated by rate constant matrix contraction method
(11th Triennial Congress of the World Association of Theoretical and Computational Chemistry 2017)
Reaction mechanism and kinetics of organic multicomponent reactions studied by combined automatic reaction path search and rate constant matrix contraction methods
(33th Symposium on Chemical Kinetics and Dynamics 2017)
多成分連結反応の反応経路ネットワークとその速度論的理解:パッセリーニ反応
(2017)
Conformational Entropy of Unimolecular Reactions Studied by a New Kinetic Approach
(13TH INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING (ICCMSE2017) 2017)
Acceleration of automatic reaction path search using rate constant matrix contraction: Application to multi-component reactions
(日本化学会 第97春季年会 2017)
2023/09 - American Chemical Society JACS Au Outstanding Paper Award 2023 Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants