Prof. Nakai gave an invited talk at “Aspect of Heavy-Element Chemistry” session of 10th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP-X).

Professor Nakai also served as the session chair for the large-scale session “Large-scale electronic structure models of materials”.

Two other presentations were given from our research group.

Invited Talk

• H. Nakai, “Relativistic density functional theory with picture-change corrected electron density”, 2019/7/12 15:00-15:30.

Poster Presentation

• ○T. M. Maier, Y. Ikabata, H. Nakai, “Relativistic 1s Core Orbital Shifts using Local Hybrid Functionals”.
• ○H. Uratani, C.-P. Chou, H. Nakai, “Divide-and-conquer DFTB-MD simulations of polaron formation process in a lead halide perovskite material”.

Our group member gave 3 oral and 3 poster presentations at Spring meeting of SCCJ 2019 in Tokyo.

Prof. Nakai gave an invited talk at 35th Symposium on Chemical Kinetics and Dynamics.

Date: June 7-9, 2019
Place: Kurara-Hall, Hiroshima

Lecture Title: “Theoretical Analyses of Condensed-Phase Chemical Reactions Based on Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics (DC-DFTB-MD) Simulations”
Lecture Schedule: 16:50-17:30, June 5, 2019

Our group member gave 2 oral and 4 poster presentations at annual meeting of theoretical chemistry in Sapporo

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)

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 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”.

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“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

Our group member gave 7 poster presentations at the 8th Quantum Chemistry School (IMS).