The 12th Annual meeting of Japan Society for Molecular Science was held in Fukuoka

Date：2018/9/10(Mon)～13(Thu)
Place：Fukuoka International Congress Center
Sponsor：Japan Society for Molecular Science

Poster session

• Kouki Uratani, Chienpin Chou, Hiromi Nakai, “密度汎関数強束縛法に基づくペロブスカイト太陽電池におけるキャリア特性の研究”, 2P106, 2018/9/11 13:00-14:40.
• Sumika Nagato, Junji Seino, Hiromi Nakai, “群知能を用いたアミン－CO2吸収反応に対する速度論解析”, 1P123, 2018/9/10 13:00-14:40.
• Ryo Kageyama, Junji Seino, Mikito Fujinami, Yasuhiro Ikabata, Hiromi Nakai, “機械学習による電子密度最適化のための運動ポテンシャル汎関数の開発”, 2P119, 2018/9/11/13:00-14:40.
• Takuro Nudejima, Yasuhiro Ikabata, Junji Seino，Ryo Kageyama, Mikito Fujinami, Hiromi Nakai, “機械学習を用いた交換相関汎関数の開発”, 3P120, 2018/9/13 15:00-16:40.

Prof. Nakai gave an invited talk at 16th International Congress of Quantum Chemistry
(ICQC).

Date: June 18-23, 2018
Place: Menton, France

Lecture Title: “What is the Best Choice of Embedding-Fragmentation Scheme for Practical Quantum Chemical Simulation?”
Lecture Schedule: 2018年6月23日10:45-11:15(L44)

In 16th international congress of quantum chemistry (16-ICQC), there were three presentations from our group.

Date：Jun. 18-23, 2018
Place：‘le Palais de l’Europe’ in the town of Menton, France

Invited Talk

• • Hiromi Nakai, “What is the Best Choice of Embedding-Fragmentation Scheme for Practical Quantum Chemical Simulation?”, L44, 2018/6/23 10:45-11:15.

Poster Presentation

• Yasuhiro Ikabata, Takuro Oyama, Masao Hayami, Junji Seino, Hiromi Nakai, “Development of picture-change corrected relativistic density functional theory”, A124, 2018/6/19 18:00-22:00.
• Takeshi Yoshikawa, Hiromi Nakai, “Divide-and-conquer-based higher-order electron-correlation methods”, B164, 2018/6/20 18:00-22:00.

Prof. Nakai gave an invited lecture at Laboratory for Chemistry and Life Science, Tokyo Institute of Technology.

Our group member gave 1 oral presentations and 2 poster presentations at 2018 Spring Meeting of The Society of Computer Chemistry, Japan (SCCJ).

Our group member gave 2 oral presentations and 7 poster presentations at The 21th Theoretical chemistry symposium.

Date: May 15-17, 2018
Place: National Institutes of Natural Sciences Okazaki Conference Center
Organizer: Association of Theoretical Chemistry.

Professor Nakai gave an invited lecture at the 319th seminar of Department of Chemical System Engineering at the University of Tokyo.

Date: 15:00-16:30, April 10, 2018
Place: 6C06-6C07, Building #3, Hongo Campus, The University of Tokyo
Organizer: Department of Chemical System Engineering at the University of Tokyo

Invited Lecture

• Hiromi Nakai, “Development of Large-System Chemical Reaction Simulation Method and Its Applications: Divide-and-Conquer Density-Functional Tight-Binding Molecular-Dynamics (DC-DFTB-MD) Method”, 2018/4/10 15:00-16:30.