Chinami Takashima (D2) received a Physical Chemistry Chemical Physics (PCCP) Poster Award for a poster presented at the 10th Asia-Pacific Association of Theoretical and Computational Chemistry Conference (APATCC-10).
“Implementation of picuture-change corrected density functional theory based on infinite-order two-component relativistic method into GAMESS program”
○Chinami Takashima, Junji Seino, and Hiromi Nakai,
Asst. Prof. Uratani received Best Presentation Award at the 24th annual meeting of theoretical chemistry.
2L09 Hiroki Uratani（Advanced Science and Engineering of Waseda University）
「非局在化した励起状態を扱えるスケーラブルなEhrenfest動力学手法の開発」
Uika KOSHIMIZU (B4) received the Graduation Thesis Presentation Award for honoring one.
Tomoya TAKANASHI (M2) received the 2021 Sekine Yoshiro Award for honoring Master’s thesis.
Kazuki KOBAYASHI (B4) received the Toka Association Award.
Toshiki MORIOKA (B4) received the Graduation Thesis Presentation Award for honoring one.
Hiroki URATANI（D3）received PhD Degree Award in 2020.
＜PhD Degree Award＞
Hiroki URATANI 「Quantum Chemical Approaches to Nonadiabatic Dynamics in Complicated Systems: Nonradiative Relaxation of Excited Molecules and Carrier Behaviors in Halide Perovskites」
Chinami TAKASHIMA (M2) received the Sekine Yoshiro Award for honoring Master’s thesis.
Hiroki Uratani (D2) received the Poster Award at the ISTCP-X Conference.
Poster: P1-48
Author: Hiroki Uratani
Title: Divide-and-conquer DFTB-MD simulations of polaron formation process in a lead halide perovskite material
Paper on Machine Learning of Quantum Chemical Reaction Prediction was selected as BCSJ Selected Paper.
“Quantum chemical reaction prediction method based on machine learning”
Mikito Fujinami, Junji Seino, and Hiromi Nakai, Bull. Chem. Soc. Jpn., 93, 685-693 (2020). (Selected Paper)