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.
Dr. Seino gave an invited lecture on artificial intelligence (AI) technology at the R & D support center workshop
Dr. Seino gave an invited lecture on artificial intelligence (AI) technology at the R & D support center workshop.
Our group member gave 1 poster presentation at the international symposium of JST PRESTO “Materials Informatics”
Our group member gave 1 poster presentation at PRESTO International Symposium on Materials Informatics.
Date: February 9 – 11, 2019
Venue: Koshiba Hall, Hongo Campus, the University of Tokyo
Poster Presentation
- J. Seino, R. Kageyama, M. Fujinami, Y. Ikabata, H. Nakai, “Orbital-free density functional theory with semi-local machine-learned kinetic energy density functional”.
A physical chemistry textbook written by Prof. Nakai and Prof. Ando (Tokyo Women’s Christian University) was published
A physical chemistry textbook written by Prof. Nakai and Prof. Ando (Tokyo Women’s University) was published.
Dr. Chou gave an invited talk at 4th China-Japan-Korea Workshop on Theoretical & Computational Chemistry (CJK-WTCC-IV)
Dr. Chou gave an invited talk at 4th China-Japan-Korea Workshop on Theoretical & Computational Chemistry (CJK-WTCC-IV).
Date: January 9-12, 2019
Place: Nanjing, China
Lecture Title: “Development of Automatized Density-Functional Tight-Binding Parameterization”
Prof. Nakai gave an invited talk at Supercomputer Workshop 2018.
Prof. Nakai gave an invited talk at Supercomputer Workshop 2018“Challenge of Theoretical and Computational Science: Perspect from Quantum Chemistry and Simulation”.
Date: January 16-17, 2019
Place: Okazaki Conference Center, NNS, Okazaki
Lecture Title: “Development and Applications of Huge-Scale Chemical Reaction Simulation Program DCDFTBMD”
Lecture Schedule: 9:30-10:10, January 16-17, 2019
Foreword written by Professor Nakai was published in the New Year issue of IQCE-News by Institute for Quantum Chemical Exploration
Foreword written by Professor Nakai was published in the New Year issue of IQCE-News by Institute for Quantum Chemical Exploration
Dr. Seino gave a special lecture on “Relativistic Quantum Chemistry” at the 8th Quantum Chemistry School (IMS)
Dr. Seino gave a special lecture on “Relativistic Quantum Chemistry” at the 8th Quantum Chemistry School (IMS).