Taro Udagawa, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa. Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study. The Journal of Physical Chemistry A. 2024
Kazuki Tatenuma, Makito Takagi, Tomomi Shimazaki, Masanori Tachikawa. Analysis of the structural H/D isotope effect with an excess proton/deuteron in light/heavy water solvent using path integral molecular dynamics simulations. Bulletin of the Chemical Society of Japan. 2023. 97. 1
Tomomi Shimazaki, Masanori Tachikawa. Time-dependent dielectric density functional theory predictions for excited-state molecular properties using neural networks guided by lower-level quantum chemistry. Chemical Physics Letters. 2023. 829. 140744-140744
Kazuaki Kuwahata, Shigekazu Ito, Masanori Tachikawa. A path integral molecular dynamics study on the muoniated xanthene-thione molecule. The Journal of chemical physics. 2023. 159. 10
Takumi Naito, Makito Takagi, Masanori Tachikawa, Koichi Yamashita, Tomomi Shimazaki. Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects. The Journal of Physical Chemistry Letters. 2023. 14. 29. 6695-6701