Research theme for competitive and other funds (3)：
2021 - 2024 Spectroscopic study on dynamical structures of electrode/electrolyte interfaces using surface-enhanced electronic and vibrational Raman scattering
2019 - 2022 Accurate analysis on plastic deformation from grain boundaries using quantum-classical hybrid simulation
2014 - 2016 Establishment of a framework for quantitative evaluation of elementary process of defomation of metals using atomistic simulations
Papers (32)：
Dilshod Durdiev, Michael Zaiser, Frank Wendler, Takahiro Tsuzuki, Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase. Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations. Applied Physics Letters. 2024. 124. 13. 132901
Shuji Ogata, Masayuki Uranagase. Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-Shift Method. The Journal of Physical Chemistry B. 2023. 127. 2629-2638
Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Takahiro Tsuzuki, Dilshod Durdiev, Frank Wendler. Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations. Journal of Applied Physics. 2023. 133. 10. 104101-104101
Taichi Isogai, Masayuki Uranagase, Kenta Motobayashi, Shuji Ogata, Katsuyoshi Ikeda. Probing collective terahertz vibrations of a hydrogen-bonded water network at buried electrochemical interfaces. Chemical Science. 2023. 14. 24. 6531-6537
Sota Hayashi, Naoki Uemura, Masayuki Uranagase, Shuji Ogata. Pressure-assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum-classical simulations. Journal of Computational Chemistry. 2022. 44. 6. 766-776
