2020 - 2023 Development of high-accurate first-principle calculation methods for surface science and the application to material science: Building the foundation for the data-driven surface science
2017 - 2019 Clarification of effects of spin contamination error on surface reactions via development of approximate spin projection scheme
2015 - 2018 Mechanistic analysis of metallocomplex-based electrocatalysts
2015 - 2017 Quantum chemical approach to clarifying preparation mechanism of Au cluster catalsysts
First-principles calculations for mechanism elucidation and design of complex catalysts for CO-resistant anodes
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Papers (82)：
Kohei Tada, Koki Masuda, Ryohei Kishi, Yasutaka Kitagawa. Systematic Investigation on Surface Diradicals Using Theoretical Models: 2M/MgO and 2M/BaO (M = Cu, Ag, and Au). Chemistry. 2024
Naoka Amamizu, Kohei Tada, Ryohei Kishi, Wataru Kosaka, Hitoshi Miyasaka, Yasutaka Kitagawa. Difference in spin structure of magnetic metal-organic frameworks between cluster model and periodic system. Chemistry Letters. 2024. 53. 12
Naoka Amamizu, Keisuke Sasaki, Mitsuhiro Nishida, Koki Masuda, Ren Inoue, Kaito Taka, Kohei Tada, Ryohei Kishi, Yasutaka Kitagawa. Theoretical study on single-molecule electron conductivity of paddlewheel-type dichromium(II,II) tetracarboxylate complexes. Bulletin of the Chemical Society of Japan. 2024
Hajime Miyamoto, Kenji Okada, Kohei Tada, Ryohei Kishi, Yasutaka Kitagawa. Theoretical Study on Singlet Fission Dynamics and Triplet Migration Process in Symmetric Heterotrimer Models. Molecules. 2024
Kohei Tada. Neural network potential calculations for melamine adsorption onto Pt (111) compared with density functional theory. Chemistry Letters. 2024. 53. 10. upae173-upae173
Can we enhance diradical character using surface interactions? -A theoretical investigation using chemical indices. Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface Science. 2021. 2021. 1Ca11R
Godwill Mbiti Kanyolo, Titus Masese, Nami Matsubara, Chih-Yao Chen, Josef Rizell, Ola Kenji Forslund, Elisabetta Nocerino, Konstantinos Papadopoulos, Anton Zubayer, Minami Kato, et al. Honeycomb Layered Oxides: Structure, Energy Storage, Transport, Topology and Relevant Insights. 2020
Lectures and oral presentations (6)：
Quantum Chemistry for Solid-Molecule Interfaces: Theoretical Development and Applications
(2nd Quantum Chemical Engineering (QCE) Seminar, 2024 2024)
Theoretical study for transition-metal materials by DFT/plane-wave calculations
(2020)
Theoretical investigation for spin contamination and static correlation errors on DFT calculations of surface reactions
(2019)
DFT calculations for heterogeneous catalysts
(2018)
First-principle calculations of metal complexes for CO reduction at fuel-cell anodes
(2018)
2013 - 2016 Osaka University Graduate School of Science Department of Chemistry
2011 - 2013 Osaka University Graduate School of Science Department of Chemistry
2008 - 2011 Osaka University School of Science
2007 - 2008 Osaka University School of Science
2004 - 2007 兵庫県立加古川東高等学校 普通科
Work history (8)：
2024/04 - 現在 Osaka University Graduate School of Engineering Science Department of Materials Engineering Science Division of Chemical Engineering Assistant Professor
2021/10 - 2024/03 National Institute of Advanced Industrial Science and Technology Materials Science Research Group, Research Institute of Electrochemical Energy, Department of Energy and Environment
2017/04 - 2021/09 National Institute of Advanced Industrial Science and Technology Materials Science Research Group, Research Institute of Electrochemical Energy, Department of Energy and Environment research scientist
2016/04 - 2017/03 Japan Society for the Promotion of Science
2015/04 - 2016/03 Japan Society for the Promotion of Science
