○国際会議発表1. Molecular Dynamics Simulations of Cerium Ion Transport Phenomena in Polymer Electrolyte, Hiroto Suzuki, Takuya Mabuchi, Takashi Tokumasu, Core to core program - ELyT school, 2022年11月18日, 英語, France Lyon. 2. ※ Molecular Simulation Study of CO2 Adsorption on Lanthanum-Based Metal Organic Framework, Ilham Hutama Putra, Fayza Yulia, Ihsan Ahmad Zulkarnain, Rizky Ruliandini, Agustino Zulys, Takuya Mabuchi, William Gonçalves, Nasruddin, Russian Journal of Physical Chemistry A, 96, 13 （2022年12月）, pp. 3007-3014. 3. ※ Bio-metal-organic framework-based cobalt glutamate for CO2/N2 separation: Experimental and multi-objective optimization with a neural network, Fayza Yulia, Agustino Zulys, Bidyut Baran Saha, Takuya Mabuchi, William Gonçalves, Nasruddin, Process Safety and Environmental Protection, 162, （2022年6月）, pp. 998-1014. 4. Revealing the Anticorrelation Behavior Mechanism between the Grotthuss and Vehicular Diffusions for Proton Transport in Concentrated Acid Solutions, Takuya Mabuchi, Journal of Physical Chemistry B, 126, 17 （2022年5月5日）, pp. 3319-3326. 5. ※ Prediction of nanoscale thermal transport and adsorption of liquid containing surfactant at solid–liquid interface via deep learning, Yuting Guo, Gaoyang Li, Takuya Mabuchi, Donatas Surblys, Taku Ohara, Takashi Tokumasu, Journal of Colloid and Interface Science, 613, （2022年5月）, pp. 587-596. 6. ※ Prediction of the adsorption properties of liquid at solid surfaces with molecular scale surface roughness via encoding-decoding convolutional neural networks, Gaoyang Li, Yuting Guo, Takuya Mabuchi, Donatas Surblys, Taku Ohara, Takashi Tokumasu, Journal of Molecular Liquids, 349, （2022年3月1日）, pp. -. 7. ※ Reactive force-field molecular dynamics simulation for the surface reaction of SiHx （x = 2–4） species on Si（1 0 0）-（2 × 1）:H surfaces in chemical vapor deposition processes, Naoya Uene, Takuya Mabuchi, Masaru Zaitsu, Shigeo Yasuhara, Takashi Tokumasu, Computational Materials Science, 204, （2022年3月）, pp. -. 8. Molecular Dynamics Simulations of Cerium Ion Transport Phenomena in Polymer Electrolyte Membranes of Polymer Electrolyte Fuel Cells, Hiroto Suzuki, Takuya Mabuchi, Takashi Tokumasu, ECS Transactions, 109, 9 （2022年）, pp. 295-302. 9. Molecular Dynamics Simulation of Scattering and Surface Diffusion of Oxygen Molecules on Ionomers in Catalyst Layers of PEFCs, Tomoki Hori, Takuya Mabuchi, Ikuya Kinefuchi, Takashi Tokumasu, ECS Transactions, 109, 9 （2022年）, pp. 95-101. 10. Morphology Evolution and Adsorption Behavior of Ionomers from Solution to Pt/C Substrates, Yuting Guo, Takuya Mabuchi, Gaoyang Li, Takashi Tokumasu, Macromolecules, 55, 11 （2022年）, pp. 4245-4255.2. Molecular Analysis of Carbon Diffusion in Iron with Phase Transformation under Electric Field, Ryuta Onozuka, Takuya Mabuchi, Patrice Chantrenne, Takashi Tokumasu, ELyT Workshop 2022, 2022年11月17日, 英語, France Lyon. 3. Atomic-scale PECVD Process Simulations at Si / Silicon-Germanium Interface by Reactive Force-Field Molecular Dynamics, Naoya Uene, Takuya Mabuchi, Yong Jin, Masaru Zaitsu, Shigeo Yasuhara, Takashi ―70―
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