Research Summary
Education
- Ph.D. (Chemistry), Waseda University, Tokyo, Japan, 1995
- M.Sc. (Applied Chemistry), Waseda University, Tokyo, Japan, 1992
- B.Sc. (Applied Chemistry), Waseda University, Tokyo, Japan, 1990
Contacts
Research Interest
My research centers on Computational and Quantum Chemistry, with a particular focus on developing quantum simulation methods that treat both electrons and hydrogen nuclei fully quantum mechanically. These approaches have been successfully applied to a broad spectrum of systems, ranging from materials science to complex biochemical environments. I have been honored with several prestigious awards, including the Young Scholar Lectures of the Chemical Society of Japan (2006); the Young Scientists’ Prize, The Commendation for Science and Technology by the Minister of Education, Culture, Sports, Science and Technology, Japan (2007); the Award of the Society of Computational Chemistry, Japan (2017); the International Award of the Japan Society of Molecular Science (2019); and the Outstanding Achievement Award for HPCI Research Projects (2022). For more information, please visit https://www-user.yokohama-cu.ac.jp/~tachi/en/
Expertise
-Computational and Quantum Chemistry
-Material simulation
-Biochemical simulation
-H/D isotope effect
Highlights
Selected Publications
- Yuu Ishii, Kazuaki Kuwahata, Tomomi Shimazaki, and Masanori Tachikawa, “Theoretical analysis of H/D isotope effect in K3H(SO4)2 and its influence on phase transition temperature”, Phys. Chem. Chem. Phys., in press (2026). DOI: 10.1039/D5CP02885J
- Nuttapon Yodsin, Taro Udagawa, Rathawat Daengngern, Siriporn Jungsutthiwong, and Masanori Tachikawa, “Unraveling H2 dissociation in CO2 hydrogenation on frustrated Lewis pair-functionalized UiO-67: DFT and nuclear quantum effects”, Int. J. Hydrogen Energy, 195, 152499 (2025). DOI: 10.1016/j.ijhydene.2025.152499
- Hiroyuki S. Kato, Riku Muneyasu, Tomoko Fujino, Akira Ueda, Yusuke Kanematsu, Masanori Tachikawa, Jun Yoshinobu, and Hatsumi Mori, “Tunneling Conductivity Switching by Reversible Electric-Field-Induced Proton Transfer for a Hydrogen-Bonding Heterobilayer Film”, Nano Lett., 25, 11116-11124 (2025). DOI: 10.1021/acs.nanolett.5c02455
- Zhuowei Li, Rajendra Prasad Paitandi, Yusuke Tsutsui, Wakana Matsuda, Masaki Nobuoka, Bin Chen, Samrat Ghosh, Takayuki Tanaka, Masayuki Suda, Tong Zhu, Hiroshi Kageyama, Yoshihiro Miyake, Hiroshi Shinokubo, Makito Takagi, Tomomi Shimazaki, Masanori Tachikawa, Katsuaki Suzuki, Hironori Kaji, Yasunobu Ando, Takahiro Ezaki, and Shu Seki, “Rolling two-dimensional covalent organic framework (COF) sheets into one-dimensional electronic and proton-conductive nanotubes.”, Proc. Natl. Acad. Sci., 122, e2424314122 (2025). DOI: 10.1073/pnas.2424314122
- Kana Takemae, Shiho Tomihari, Takumi Naitou, Makito Takagi, Tomomi Shimazaki, Tokuhisa Kawawaki, Masanori Tachikawa, and Yuichi Negishi, “Inclusion of Gold Ion in Tiara-Like Nickel Hexanuclear Nanoclusters”, Nanoscale, 17, 3721-3727 (2025). DOI: 10.1039/d4nr04579c