Our group member will give 1 poster presentation at SCCJ Annual Meeting 2023 Spring.
Date: June 1-2, 2023
Place: Tokyo Institute of Technology
Content
4 Undergraduate students joined Nakai’s Research Group at the beginning of 2023 academic year.
2 Undergraduate student, 2 master’s students, and 1 assistant professor left Nakai’s Research Group at the end of 2022 academic year.
Our group member had given 2 oral and 1 poster presentations at The 103rd CSJ Annual Meeting.
Date: March 22-25, 2023
Place:Noda Campas of Tokyo University of Science
Paper on Nanoscale and Real-Time Nuclear–Electronic Dynamics Simulation in Organic Photovoltaics was adopted as the cover image of JPCL.
“Nanoscale and Real-Time Nuclear–Electronic Dynamics Simulation Study of Charge Transfer at the Donor–Acceptor Interface in Organic Photovoltaics”
Hiroki Uratani and Hiromi Nakai, J. Phys. Chem. Lett., 14, 2292-2300 (2023).
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 will give lectures at Workshop “Theoretical Chemistry of Condensed Matter”.
Date : March 9th-10th, 2023
Place : Naha, Japan
Contents
○Hiroki Uratani, “ナノスケール電子–核動力学シミュレーションによる有機太陽電池界面での電荷移動過程の解析”(Invited Talk)
Prof. Nakai will give lecture and our group member will give 4 poster presentation at Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10).
Date: February 19-23, 2023
Place: International Centre for Interdisciplinary Science and Education (ICISE), Quy Nhon, Vietnam
Contents
○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”
Dr. Nishimura will give lecture New Horizons in Scientific Software: THE NEW COLLABORATIVE PLATFORM GOES LIFE (NHISS2022).
Date: December 12nd – 15th, 2022
Place: International Convention Center Jeju (ICC JEJU), Jeju, Korea
Contents
Dr. Ono will give a poster presentation at 19th International Conference on Retinal Proteins (ICRP19).
Date: October 30-November 4, 2022
Place: Royton Sapporo
Contents