Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10)において、中井教授による講演と当研究室のポスター発表が5件あります

Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10)において、中井教授による講演と当研究室のポスター発表が5件あります。

Date: 2023年2月19日(日)~2月23日(木)
Place: International Centre for Interdisciplinary Science and Education (ICISE), Quy Nhon, Vietnam

発表内容
○Hiromi Nakai, “Recent Updates of DCDFTBMD Program: Theory, Implementation, and Applications”

○Hiroki Uratani, Hiromi Nakai, “Development of a nanoscale excited-state nuclear–electronic dynamics simulation method and application to charge transfer in organic solar cells”

○Chinami Takashima, Junji Seino, and Hiromi Nakai, “Implementation of picuture-change corrected density functional theory based on infinite-order two-component relativistic method into GAMESS program”

○Ryo Fujisawa, Mikito Fujinami, Junji Seino, Yasuhiro Ikabata, Hiromi Nakai, “Applicability domain for machine-learned electron correlation model “

○Yoshifumi Nishimura, Hiromi Nakai, “Species-selective nanoreactor molecular dynamics simulations based on linear-scaling tight-binding quantum chemical calculations”

○Ryosuke Sasaki, Mikito Fujinami, Hiromi Nakai, “Application of image recognition methods for chemical experiment images and videos”