Uika KOSHIMIZU (B4) received the Graduation Thesis Presentation Award for honoring one.
Monthly Archives: March 2022
Prof. Nakai will give a lecture at Computational Materials Science Seminar
The Computational Materials Science Seminar (Chemical Materials 1st Series) will be held online from May 11th to June 23rd, 2022, sponsored by Kagami Memorial Research Institute for Materials Science and Technology of Waseda University.
Four lecturers including Prof. Nakai, Dr. Tateyama, Prof. Okazaki, and Associate Prof. Seino will share lectures on quantum chemistry calculation, first-principles calculation, molecular dynamics calculation, and materials informatics, respectively.
Tomoya TAKANASHI (M2) received the Sekine Yoshiro Award for honoring Master’s thesis
Tomoya TAKANASHI (M2) received the 2021 Sekine Yoshiro Award for honoring Master’s thesis.
Prof. Nakai will give a lecture at the Chemistry Seminar (online) of Ulsan Institute of Science and Technology (UNIST), Korea
Prof. Nakai will give a lecture on “Computational Chemistry for Realistic Models” at the Chemistry Seminar (online) of Ulsan Institute of Science and Technology (UNIST), Korea
DCDFTBMD, Huge-System Quantum Molecular Dynamics Program, is open to all user of RCCS
DCDFTBMD, Huge-System Quantum Molecular Dynamics Program, which has been developed in Nakai Research Group, has become open to all user of Research Center for Computational Science (RCCS) at Okazaki Research Facilities, National Institute of Natural Science (NINS).
Co-authored paper on “SARS-CoV-2 Main Protease” with Dr. Yoshifumi Fukunishi (AIST) was published in Chem. Phys. Lett.
Co-authored paper on “SARS-CoV-2 Main Protease” with Dr. Yoshifumi Fukunishi (AIST) was published in Chem. Phys. Lett.
“Multiple protonation states in ligand-free SARS-CoV-2 main protease revealed by large-scale quantum molecular dynamics simulations”
J. Ono, U. Koshimizu, Y. Fukunishi, H. Nakai, Chem. Phys. Lett., 794, 139489 (2022).