I. Mori, Y. Sumiya, XXX, submitted (2025). 

K. Kubo, Y. Sumiya, Interfacial Bonding Mechanism of Ethyl Cyanoacrylate Adhesive on Diverse Inorganic Surfaces: A Density Functional Theory Study, Langmuir 41, 24776-24785 (2025).

Y. Sumiya, T. Uwabe, Theoretical insights into adhesive mechanisms of dental adhesives on zirconia surfaces: Effects of functional groups in adhesive monomers, J. Mater. Chem. B 13, 10960-10972 (2025).

K. Yamakawa, Y. Obara, Y. Sumiya, T. Wang, S. Ogata, R. Haraguchi, Conversion of simple alkenes into 1H-1,2,3-triazolium salts by oxidative cycloaddition and subsequent dehydrogenation, Chem. Commun. 61, 8387-8390 (2025). 

Y. Sumiya, T. Uwabe, Molecular insights into adhesive mechanisms of phosphate-based dental adhesives on zirconia surfaces: effects of zirconia crystal structure, J. Mater. Chem. B 13, 5095-5108 (2025).

A. Shrestha, Y. Sumiya, K. Okazawa, Y. Tsuji, K. Yoshizawa, Density Functional Theory Study of Adhesion Mechanism between Epoxy Resins Cured with 4,4′-Diaminodiphenyl Sulfone and 4,4′-Diaminodiphenylmethane and Carboxyl Functionalized Carbon Fiber, Langmuir 40, 21573-21586 (2024).

K. Kikkawa, Y. Sumiya, K. Okazawa, K. Yoshizawa, Y. Itoh, T. Aida, Thiourea as a “Polar Hydrophobic” Hydrogen-Bonding Motif: Application to Highly Durable All-Underwater Adhesion, J. Am. Chem. Soc. 146, 21168 (2024). 

Y. Sumiya, R. Kaji, K. Yoshizawa, Surface treatment of poly(p-phenylene sulfide) and its impact on adhesion of epoxy resin: Theoretical insights, Chem. Phys. Lett. 847, 141370 (2024).

M. Nakatani, S. Fukamachi, P. Solis-Fernandez, S. Honda, K. Kawahara, Y. Tsuji, Y. Sumiya, M. Kuroki, K. Li, Q. Liu, Y.-C. Lin, A. Uchida, S. Oyama, H. G. Ji, K. Okada, K. Suenaga, Y. Kawano, K. Yoshizawa, A. Yasui, H. Ago, Ready-to-transfer two-dimensional materials using tunable adhesive force tapes, Nature Electronics 7, 119-130 (2024).

T. Uwabe, Y. Sumiya, Y. Tsuji, S. Nakamura, K. Yoshizawa, Elucidating the effects of chemisorbed water molecules on the adhesive interactions of epoxy resin to γ-alumina surfaces, Langmuir 39, 18537-18547 (2023).

A. Shrestha, Y. Sumiya, K. Okazawa, T. Uwabe, K. Yoshizawa, Molecular Understanding of Adhesion of Epoxy Resin to Graphene and Graphene Oxide Surfaces in Terms of Orbital Interactions, Langmuir 39, 5514 (2023).

Y. Sumiya, Y. Tsuji, K. Yoshizawa, Shear adhesive strength between epoxy resin and copper surfaces: a density functional theory study, Phys. Chem. Chem. Phys. 24, 27289 (2022).

Y. Sumiya, Y. Tsuji, K. Yoshizawa, Peel adhesion strength between epoxy resin and hydrated silica surface: A density functional theory study, ACS Omega 7, 17393-17400 (2022). 

Y. Sumiya, Y. Harabuchi, Y. Nagata, S. Maeda, Quantum chemical calculations to trace back reaction paths for the prediction of reactants, JACS Au, 2, 1181-1188 (2022). (ACS Editors’ Choice)

H. Saito, K. Yamamoto, Y. Sumiya, L.-J. Liu, K. Nogi, S. Maeda, H. Yorimitsu, Palladium-Catalyzed C-H Iodination of Arenes by Means of Sulfinyl Directing Groups, Chem. Asian J. 15, 2442-2446 (2020).

Y. Sumiya, S. Maeda, Rate Constant Matrix Contraction Method for Systematic Analysis of Reaction Path Networks, Chem. Lett. 49, 553-564 (2020).

Y. Sumiya, Y. Tabata, S. Maeda, Understanding the Acetalization Reaction Based on its Reaction Path Network, ChemSystemsChem 2, e1900022 (2020).

K. Sugiyama, Y. Sumiya, M. Takagi, K. Saita, S. Maeda, Understanding CO oxidation on the Pt(111) surface based on reaction route network, Phys. Chem. Chem. Phys. 21, 14366-14375 (2019).

Y. Sumiya, S. Maeda, A Reaction Path Network for Wohler's Urea Synthesis, Chem. Lett. 48, 47-50 (2019).

Y. Sumiya, S. Maeda, Designing Backbone of Hexasilabenzene Derivatives Possessing a High Unimolecular Kinetic Stability, Chem. Eur. J. 24, 12264-12268 (2018).

S. Maeda, K. Sugiyama, Y. Sumiya, M. Takagi, K. Saita, Global Reaction Route Mapping for Surface Adsorbed Molecules: A Case Study for H2O on Cu(111) Surface, Chem. Lett. 47, 396-399 (2018).

S. Maeda, M. Takagi, K. Saita, K. Suzuki, T. Ichino, Y. Sumiya, K. Sugiyama, Y. Ono, Implementation and Performance of the Artificial Force Induced Reaction Method in the GRRM17 Program, J. Comput. Chem. 39, 233-250 (2018).

R. Uematsu, C. Saka, Y. Sumiya, T. Ichino, T. Taketsugu, S. Maeda, Autocatalytic Cycle in Autoxidation of Triethylborane, Chem. Comm. 53, 7302-7305 (2017).

Y. Sumiya, T. Taketsugu, S. Maeda, Full Rate Constant Matrix Contraction Method for Obtaining Branching Ratio of Unimolecular Decomposition, J. Comput. Chem. 38, 101-109 (2017).

Y. Sumiya, Y. Nagahata, T. Komatsuzaki, T. Taketsugu, S. Maeda, Kinetic Analysis for the Multistep Profiles of Organic Reactions: Significance of the Conformational Entropy on the Rate Constants of the Claisen Rearrangement, J. Phys. Chem. A 119, 11641-11649 (2015).

住谷 陽輔, マテリアルゲノム技術によるロケット推進剤の分子設計, 現代化学10月号 「論文ファイルから」, 655, (2025). 

住谷 陽輔, 速度論ナビゲーションに基づく包括的反応経路の削減マッピング(GRRRM)戦略, 理論化学会誌フロンティア, 7, 63-74 (2025). 

住谷 陽輔, 量子化学計算によるエポキシ樹脂の接着相互作用と接着阻害因子の影響の解明, ネットワークポリマー, 46, 15-23 (2025).

W. M. C. Sameera, Y. Sumiya, B. B. Skjelstad, Satoshi Maeda, Automated Mechanism Discovery, Comprehensive Computational Chemistry, 4, 454-484 (2024).

住谷 陽輔, 吉澤 一成, 第一原理計算による接着分子理論の構築に向けて：金属とエポキシ樹脂の接着相互作用, 科学と工業, 97, 287-292 (2023).

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, 塗装工学, 58, 88-95 (2023).

住谷 陽輔, 上部 岳洋, 吉澤 一成, 金属とエポキシ樹脂の接着理論, 防錆管理, 67, 24-29 (2023).

Y. Sumiya, S. Maeda, Paths of Chemical Reactions and Their Networks: From Geometry to automated search and systematic analysis (RSC Specialist Periodical Reports), Ed. by M. Springborg and J.-O. Joswig, Royal Society of Chemistry, 28-69 (2019).

住谷 陽輔, 化学反応素過程の複雑ネットワークに対する速度解析, アンサンブル, 21, 151-156 (2019).

鈴木 浩史，中野 裕太，住谷 陽輔，湊 真一，前田 理, 化学反応経路ネットワークにおけるZDDを用いたエネルギー制限付き経路列挙, 情報処理学会アルゴリズム研究会, 情処研報, 169, 1-6 (2018).

新アルゴリズムで量子化学的逆合成解析の限界を克服

世界初、グラフェンなどの二次元材料テープを開発

ケムステーション スポットライトリサーチ 新アルゴリズムで量子化学的逆合成解析の限界突破！～未知反応をコンピュータで系統探索する新技術～