1 Undergraduate student, 5 master’s students, and 1 assistant professor left Nakai’s Research Group at the end of 2018 academic year.
Monthly Archives: March 2019
An introductory video on CO2 absorption process studied by Nakai’s group has been uploaded to Youtube
n introductory video on CO2 absorption process studied by Nakai’s group has been uploaded to Youtube.
A review paper in Japanese on DCDFTBMD, large-scale quantum molecular dynamics simulation software, was published in J. Comput. Chem. Japan
A review paper in Japanese on DCDFTBMD, large-scale quantum molecular dynamics simulation software, was published in J. Comput. Chem. Japan.
“Release of DCDFTBMD Program”
Yoshifumi NISHIMURA, Takeshi YOSHIKAWA, and Hiromi NAKAI, J. Comput. Chem. Japan
Our group member gave 1 invited talk, 3 oral presentation, and 2 poster presentations at the 99th Spring Meeting of Chemical Society of Japan (CSJ)
Our group member gave 1 invited talk, 3 oral presentations, and 2 poster presentations at the 99th Spring Meeting of Chemical Society of Japan (CSJ).
Date：March 16(Sat.)-19(Tue.), 2019
Place：Okamoto Campas, Konan University
主催：Chemical Society of Japan (CSJ)
Paper on DC-TDDFTB-MD was adopted in Cover Image of J. Chem. Theory Comput.
A paper on DC-TDDFTB-MD was adopted in “Cover Image” of J. Chem. Theory Comput.
“Development of Large-Scale Excited-State Calculations Based on the Divide-and-Conquer Time-Dependent Density Functional Tight-Binding Method”
Nana Komoto, Takeshi Yoshikawa, Junichi Ono, Yoshifumi Nishimura, and Hiromi Nakai, J. Chem. Theory Comput.
A short-term international student from Thailand came to Japan and started research activities for about one month
A short-term international student from Thailand came to Japan and started research activities for about one month.
Mr. Phujinn Honorio
Project at Prof.Nakai’s lab: Research training using DC-DFTB simulations
Period: March 10 – April 13, 2019
Advisor in Thailand: Asst. Prof. Dr. Pachreenart Saparpakorn
Department of Chemistry, Faculty of Science, Kasetsart University
r. Ryo Kageyama (M2) received the Sekine Yoshiro Award for honoring Master’s thesis
Mr. Ryo Kageyama (M2) received the Sekine Yoshiro Award for honoring Master’s thesis.
A review paper on DCDFTBMD, large-scale quantum molecular dynamics simulation software, was published in J. Comput. Chem.
A review paper on DCDFTBMD, large-scale quantum molecular dynamics simulation software, was published in J. Comput. Chem.
“DCDFTBMD: Divide‐and‐Conquer Density Functional Tight‐Binding Program for Huge‐System Quantum Mechanical Molecular Dynamics Simulations”
Yoshifumi Nishimura Hiromi Nakai, J. Comput. Chem.