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

Kick-off Meeting of Grant-in-Aid for Scientific Research (S) "Clarification of Ubiqutus Proton Function in Photoreceptive Proteins by Quantum Molecular Dynamics Simulations" was held successfully.

Date: 15:00-17:20, September 26, 2018
Place: Room 205, Building #63, Nishi-Waseda Campus, Waseda University
Sponsor:Project Research: Social Implementation of Computational Chemistry
cosponsor: Waseda Research Institute for Science and Engineering

Program
15:00 – 15:10 Opening remarks
15:10 – 15:30 Hiromi Nakai
15:30 – 15:50 Mitsunori Takano
16:00 – 16:15 Takeshi Yoshikawa
16:15 – 16:30 Junichi Ono
16:30 – 16:45 Nana Komoto
16:45 – 17:00 Dan Parkin
17:00 – 17:15 Jun Ohnuki
17:15 – 17:20 Closing remarks

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

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

"RAQET: Large‐Scale Two‐Component Relativistic Quantum Chemistry Program Package"
Masao Hayami Junji Seino Yuya Nakajima Masahiko Nakano Yasuhiro Ikabata Takeshi Yoshikawa Takuro Oyama Kenta Hiraga So Hirata Hiromi Nakai, J. Comput. Chem.

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

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.