A review paper on the practical relativistic quantum chemistry calculation program RAQET developed in CREST research was accepted in J. Comput. Chem.
“RAQET: Large-scale two-component relativistic quantum chemistry program package”,
M. Hayami, J. Seino, Y. Nakajima, M. Nakano, Y. Ikabata, T. Yoshikawa, T. Oyama, K. Hiraga, S. Hirata, H. Nakai, J. Comput. Chem., in press (2018).
Nana Koumoto (M1) will receive the Society of Computer Chemistry, Japan (SCCJ) Scholarship Award at the Spring Meeting (2018).
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.
An international co-authored paper on DC-DFTB-MD simulation for BN nanocluster synthesis was published in Chemical Science.
“Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume”
P. S. Krstic, L. Han, S. Irle, H. Nakai, Chemical Science, 9 (15), 3803-3819 (2018).
Takahiro Hirai won the Student Poster Prize at the 121st meeting of Catalysis society of Japan.
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
A battery research proposed by Dr. Okoshi was adopted as Early-Career Scientists of Grants-in-Aid for Scientific Research (KAKENHI).
A DFT research proposed by Dr. Ikabata was adopted as Early-Career Scientists of Grants-in-Aid for Scientific Research (KAKENHI).