Dr. Seino will give a lecture on R&D support center.
Paper on Polaron Formation in Perovskite Solar Cell was selected as "PCCP 2019 HOT Article".
"Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite"
Hiroki Uratani, Chien-Pin Chou, and Hiromi Nakai, Phys. Chem. Chem. Phys., 2020, "Advance Article"
The article was first published on 27 Nov 2019
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
Aditya W. Sakti Yoshifumi Nishimura Hiromi Nakai
WIREs Computational Molecular Science, Volume 10, Issue 1, e1459
First Published: 05 December 2019
Dr. Yoshikawa gave an invited talk at QIQB Symposium.
Our group member gave 4 poster presentations at Materials Research Meeting 2019 (MRM2019).
Date:December 10 ~ December 14, 2019
- ○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.