Research field (5)：
Nanomaterials
, Mathematical physics and basic theory
, Bio-, chemical, and soft-matter physics
, Semiconductors, optical and atomic physics
, Basic physical chemistry
Research keywords (4)：
物性理論
, 量子化学
, 反応設計理論
, 分子設計理論
Research theme for competitive and other funds (22)：
2021 - 2024 Real-time reaction dynamics of micro-solvated clusters by direct ab initio MD method
2021 - 2023 Direct Ab initio MD Study on Photo-induced Reactions in Interstellar Space
2018 - 2021 Direct Ab-initio Molecular Dynamics (MD) Study on the Ionization and Electron Capture Dynamics of Micro-solvated Clusters
2017 - 2020 Improvement of the durability of concrete for very long-term by computational science for the interaction between cement hydrates and alkalis
2015 - 2018 Direct Ab-initio Molecular Dynamics (AIMD) Study on the Effects of Micro-solvation on the Reaction Mechanisms in Hydrated Clusters.
2013 - 2018 Theoretical Modeling of Surface Processes and MC- and PP-disk chemistry
2012 - 2015 Direct Ab-initio Molecular Dynamics (MD) Study on the Ionization and Electron Capture Dynamics of Micro-Solvated Clusters
2009 - 2011 Direct ab-initio MD Study on real time reaction dynamics of solvation clusters.
2005 - 2006 Development of direct ab-initio dynamics method and its application to molecular designs
2003 - 2004 Development of direct ab-initio dynamics method and its application to reaction design
Hiroto Tachikawa. Mechanism of ionic dissociation of HCl in the smallest water clusters. Physical Chemistry Chemical Physics. 2024. 26. 4. 3623-3631
Shigeaki Abe, Hiroto Tachikawa, Tetsuji Iyama, Sirus Safaee, Mahdis Nesabi, Alireza Valanezhad, Ikuya Watanabe. Density functional theory study on the interaction of C60 fullerene with PCBM. Japanese Journal of Applied Physics. 2023. 63. 1. 01SP31-01SP31
Hiroto Tachikawa, Yoshiki Izumi, Tetsuji Iyama, Shigeaki Abe, Ikuya Watanabe. Aluminum-Doping Effects on the Electronic States of Graphene Nanoflake: Diffusion and Hydrogen Storage Mechanism. Nanomaterials. 2023. 13. 14. 2046-2046
Hiroshi Kawabata, Hiroto Tachikawa. Theoretical study of the relationship between the electronic structure of carbon nanotube surface and its hydrogenation sites. Applied Physics Express. 2023. 16. 6. 061006-061006
Hiroto Tachikawa. C-C Bond Formation Reaction Catalyzed by a Lithium Atom: Benzene-to-Biphenyl Coupling. ACS Omega. 2023. 8. 11. 10600-10606
