Masayuki Uranagase, Shuji Ogata. Nonequilibrium molecular dynamics method based on coarse-graining formalism: Application to a nonuniform temperature field system. Physical Review E. 2022. 104. 065301-1-065301-17
Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi. Effects of Mono/Di1-Vacancies on Domain Growth of BaTiO3: An Atomistic Computer Simulation Study. Proc. of the International Conference on Electrical, Computer, Communications and Mechatronics Engineering. 2021
Shuji Ogata, Masayuki Uranagase. First-Principles Simulation Study on the Weakening of Silane Coupling to Silica under Alkaline Conditions. J. Phys. Chem. C. 2021
Shuji Ogata, Masayuki Uranagase, Yusuke Takahashi, Tomoya Kishi. First-Principles Calculations of the Protonation and Weakening of Epoxy Resin under Wet Conditions. J. Phys. Chem. B. 2021
Nobuko Ohba, Shuji Ogata, Takahisa Kouno, Ryoji Asahi. A hybrid quantum-classical simulation study on the Li diffusion in Li-graphite intercalation compounds. TSUBAME E-Science Journal. 2013. 8. 32-39
2019/11/06 - The Korean Institute of Metals and Materials (KIM) The Korea Institute of Science and Technology Korea Advanced Institute of Science and Technology - ACE Team Seoul National University Best Poster Presentation Award, The 5th Int'l Conf. Mol. Sim. Large-Scale DFT Simulation of SWCNT-encapsulated Quinone Molecules for Novel Cathode of Li-ion Battery