The paper of “experimental condition optimization by machine learning” jointly conducted with Prof. Takeaki Iwamoto laboratory (Tohoku University) was elected as Editor’s Choice of Chem. Lett.
“Virtual reaction condition optimization based on machine learning for a small number of experiments in high-dimensional continuous and categorical variables”
M. Fujinami, J. Seino, T. Nukazawa, S. Ishida, T. Iwamoto, H. Nakai, Chem. Lett., in press (2019). (Editor’s Choice)
A short-term international student (Mr. Phujinn Honorio) from Thailand finished research activities for about one month and returned to Thailand.
The 1-month study was summarized in the following two reports.
RESEARCH TRAINING REPORT
(1) Divide-and-Conquer-Type Density-Functional Tight-Binding Molecular Dynamics Simulations of Proton Diffusion in a Bulk Water System
(2) Divide-and-Conquer-Type Density-Functional Tight-Binding Molecular Dynamics Simulations of Acetylcholinesterase-Inhibitor Complex Systems
A short-term international student from Korea came to Japan and started research activities for about two months.
Mr. Jong Hyeon Lim
Project at Prof. Nakai’s lab: Research training using DC-DFTB simulations
Period: April 8 – June 7, 2019
Advisor in Korea: Prof. Jin Yong Lee
Department of Chemistry, Sungkyunkwan University
6 Undergraduate students and 1 master’s student joined Nakai’s Research Group at the beginning of 2019 academic year.