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