A review paper on RAQET, a practical relativistic quantum chemistry calculation program developed in CREST research was published in J. Comput. Chem.

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CREST研究で開発した実用的相対論的量子化学計算プログラムRAQETの解説論文がJ. Comput. Chem.に掲載されました。

“RAQET: Large‐Scale Two‐Component Relativistic Quantum Chemistry Program Package”
Masao Hayami Junji Seino Yuya Nakajima Masahiko Nakano Yasuhiro Ikabata Takeshi YoshA review paper on RAQET, a practical relativistic quantum chemistry calculation program developed in CREST research was published in J. Comput. Chem.

The 56th Annual meeting of the biophysical society of Japan was held in Okayama

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The 56th Annual meeting of the biophysical society of Japan　was held in Okayama

Date：2018/9/15(Sat)～17日(Mon)
Place：Okayama University, Tsushima Campus
Sponsor： The biophysical society of Japan

Poster session

  • Junichi Ono, Minori Imai, Yoshifumi Nishimura, Hiromi Nakai, “Large-scale quantum-mechanical molecular dynamics simulations for the primary proton transfer in bacteriorhodopsin”, 2Pos103, 2018/9/16 16:30-17:30.
  • Nana Komoto, Takeshi Yoshikawa, Junichi Ono, Hiromi Nakai, “Development of large-scale excited-state calculation method and applied research on photoactive yellow protein”, 2Pos104, 2018/9/16 17:30-18:30.

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

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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.

A research on quantum molecular dynamics simulation of photoreceptive protein proposed by Prof. Nakai was adopted as Grant-in-Aid for Scientific Research (S) (KAKENHI)

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A research on quantum molecular dynamics simulation of photoreceptive protein proposed by Prof. Nakai was adopted as Grant-in-Aid for Scientific Research (S) (KAKENHI).

Grant-in-Aid for Scientific Research (S) “Clarification of Ubiqutus Proton Function in Photoreceptive Proteins by Quantum Molecular Dynamics Simulations”