Paper on Polaron Formation in Perovskite Solar Cell was selected as PCCP 2019 HOT Articlesf J. Chem. Theory Comput.

Posted on 2019年12月12日2020年11月12日

Paper on Polaron Formation in Perovskite Solar Cell was selected as “PCCP 2019 HOT Article”.

Review paper on Ubiquitous Proton was adopted in Cover Image of WIREs Comput. Mol. Sci.

Posted on 2019年12月10日2023年5月22日

A review paper on Ubiquitous Proton was adopted in “Cover Image” of WIREs Comput. Mol. Sci.

“Recent advances in quantum-mechanical molecular dynamics simulations of proton transfer mechanism in various water-based
environments”

Aditya W. Sakti Yoshifumi Nishimura Hiromi Nakai
WIREs Computational Molecular Science, Volume 10, Issue 1, e1459
First Published: 05 December 2019

Posted on 2019年12月4日2020年11月17日

Dr. Yoshikawa gave an invited talk at QIQB Symposium.

Posted on 2019年12月3日2020年11月17日

Our group member gave 4 poster presentations at Materials Research Meeting 2019 (MRM2019).

Date:December 10 ~ December 14, 2019
Place:yokohama-Symposia

poster

○Junichi Ono, Chien-Pin Chou, Hiromi Nakai, “Microscopic mechanism of diffusion processes in dilute electrolyte solutions for sodium-ion batteries”, F1-13-P17/Poster, 12/13 14:00-16:00.
○Aditya W. Sakti, Chien-Pin Chou, Hiromi Nakai, “Density-Functional Tight-Binding Study on Oxygen Vacancy Diffusion in Ceria Systems”, F2-11-P20/Poster, 12/11 11:30-13:00.
○Kyosuke Doi, Yuki Yamada, Masaki Okoshi, Junichi Ono, Chien-Pin Chou, Hiromi Nakai, Atsuo Yamada, “Reversible sodium metal electrodes: Is fluorine an essential interphasial component?”, Poster.
○Junji Seino, Ryo Kageyama, Mikito Fujinami, Yasuhiro Ikabata, Hiromi Nakai, “Machine-Learned Kinetic Energy Functional in Isolated Systems and its Combination with Orbital-Free Density Functional Theory”, Poster.