-
David S. Rivera Rocabado (Invited lecture)
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Taichi Mitani, Yusuke Kanematsu, Takayoshi Ishimoto,
『Theoretical analysis on the mechanism of H/D kinetic isotope effect in the metabolism on deuterated drug』
ACS Fall 2023 -
David S. Rivera Rocabado, Mika Aizawa, Takayoshi Ishimoto
『Unlocking the Secrets of CO Interaction and Activation on Ru Nanoparticles Supported on Al2O3 through Density Functional Theory Calculations and Machine Learning』
American Chemical Society, Fall Meeting 2023 -
Kohei Yoshida, Yusuke Kanematsu, Takayoshi Ishimoto
『Analysis of vulcanized polymer model properties using molecular dynamics simulation and machine learn』
ACS Fall 2023 -
Yuya Shimohata, Yusuke Kanematsu, David Samuel Rivera Rocabado, Takayoshi Ishimoto,
『Theoretical study of isotope effects in ice by CPLB method』
ACS Fall 2023 -
David S. Rivera Rocabado (Invited lecture)
『Decomposition and Prediction of Adsorbates Binding Energy on Metal Nanoparticles via Density Functional Theory Calculations and Machine Learning Models』
The 11th Annual World Congress of Nano-S&T -
Takayoshi Ishimoto (Invited Lecture)
『Theoretical study of metal surface-hydrogen interaction by combined plane wave and localized basis sets (CPLB) method』
The 11th Annual World Congress of Nano-S&T -
Takayoshi Ishimoto(Invited Lecture)
『Combined plane wave and localized basis sets (CPLB) approach: A study of H/D adsorption on metal surface』
Cluster Meeting of Gala Technology 2023 -
Yusuke Kanematsu, Yu Takano (Invited)
The minimum pathway search of the F-actin ATPase reaction,
7th Japan-Thai workshop on Theoretical and Computational Chemistry 2022 -
Yusuke Kanematsu, Yu Takano, Masanori Tachikawa (Invited)
Theoretical analysis of H/D isotope effects on molecular structure and the spectroscopy,
7th International Symposium of Quantum Beam Science (ISQBS2022) -
Yusuke Kanematsu, Hiroko X. Kondo, Yu Takano
Development of the web application for the analysis on the structure-function correlation of hemeproteins and its expansion for metalloproteins,
10th Asian Biological Inorganic Chemistry Conference (AsBIC 10) -
Yusuke Kanematsu, Yu Takano (Invited lecture)
Theoretical investigation on the ATPase mechanism of F-actin,
International Congress on Pure & Applied Chemistry Kota Kinabalu (ICPAC KK) 2022 -
David S. Rivera Rocabado (Invited lecture)
Computational Modelling of Nanoparticles with Applications to Catalysis and Sustainable Energy,
International Congress on Pure & Applied Chemistry Kota Kinabalu (ICPAC KK) 2022 -
David S. Rivera Rocabado, Mika Aizawa, Takayoshi Ishimoto
Understanding the Effect of Al2O3 support on Ru Nanoparticle for Fischer–Tropsch Reaction by Density Functional Theory Calculations and Machine Learning,
45th Chemoinformatics Symposium -
David S. Rivera Rocabado (Invited lecture)
Hydrogen Economy, the Promising Path to Decarbonization,
Lecture Series, School of Interdisciplinary Science and Innovation, Kyushu University -
David S. Rivera Rocabado (Invited)
"The importance of nanoparticle systems in catalytic applications from a computational approach"
Chemical Engineering and Technology (GEMCET-22) -
David S. Rivera Rocabado (Invited)
"Density functional theory and machine learning description and prediction of oxygen atom chemisorption on platinum nanoparticles"
Perspectives on Artificial Intelligence and Machine Learning in Materials Science 2022, February. -
Hiroki Sakagami, Takayoshi Ishimoto, Masanori Tachikawa,
"Theoretical analysis of CH4/CD4 adsorption on Rh(111) surface using combined plane wave and localized basis sets (CPLB) method"
Pacifichem 2021, December. -
David S. Rivera Rocabado, Miho Yamauchi, Masanori Tachikawa, Takayoshi Ishimoto,
"Theoretical study of the catalytic activity of BCC FeRu nanoalloy for ammonia synthesis"
Pacifichem 2021, December. -
Nuttapon Yodsin, Hiroki Sakagami, Taro Udagawa, Takayoshi Ishimoto, Siripon Jungsuttiwong, Masanori Tachikawa,
"Metal-doped carbon nanocones as highly efficient catalysts for hydrogen storage: Nuclear quantum effect on hydrogen spillover mechanism"
6th Japan-Thai Online-Workshop on Theoretical and Computational Chemistry 2021, December. -
Hiroki Sakagami, Takayoshi Ishimoto, Masanori Tachikawa,
"Development of combined plane wave and localized basis sets method toward theoretical analysis of H/D isotope effect of atoms/molecules adsorption on metal surface"
6th Japan-Thai Online-Workshop on Theoretical and Computational Chemistry 2021, December. -
David S. Rivera Rocabado, Miho Yamauchi, Takayoshi Ishimoto,
"Uncovering the catalytic activity of single-atom sites in diluted Ru-Fe alloy for ammonia synthesis"
6th Japan-Thai Online-Workshop on Theoretical and Computational Chemistry 2021, December. -
Hiroki Sakagami, Takayoshi Ishimoto, Masanori Tachikawa,
"Theoretical analysis of H/D isotope effect on CH4/CD4 adsorption on Rh(111) surface using combined plane wave and localized basis sets (CPLB) method"
Joint IAMS-NTNU-YCU Online Workshop, August. -
Takayoshi Ishimoto (Key Note),
"Theoretical study of metal-hydrogen interaction in nanoparticles"
Vebleo Webinar on Science, Engineering and Technology, May.
Presentations
Presentations