Theory and Applications of Computational Chemistry (TACC2023) において、中井教授による招待講演と当研究室のポスター発表が6件あります。

Date: 2023年9月4日(月)~9月9日(土)
Place: 北海道大学, Sapporo, Japan


  • 〇Hiromi Nakai,”Chemical Concept for Understanding the S0/S1 Minimum Energy Conical Intersection”(Invited Talk).
  • 〇Yoshifumi Nishimura, Hiromi Nakai,”Extension and acceleration of nanoreactor molecular dynamics based on species-selective algorithm and linear-scaling tight-binding quantum chemical computations”(poster).
  • 〇Chinami Takashima and Hiromi Nakai,”Long-range corrected density functional theory calculation with the infinite-order two-component Hamiltonian”(poster).
  • 〇Ryo Fujisawa, Mikito Fujinami, Hiromi Nakai,”Development of machine-learned electron correlation model including the fourth-row elements”(poster).
  • 〇Ryusei Nishimura, Takeshi Yoshikawa, Kent Sakata, Hiromi Nakai,”Main Configuration Analysis for Divide-and-Conquer Excited-State Calculations using Frequency-Dependent Polarizability”(poster).
  • 〇Ryosuke Sasaki, Mikito Fujinami, Hiromi Nakai,”Utilization of image recognition for chemical experiments toward development of automated electronic laboratory notebook”(poster).
  • 〇Rei Oshima, Chinami Takashima, Kazuki Tajima, Takeshi Yoshikawa, Hiromi Nakai,”Solving unstable behavior of divide-and-conquer self-consistent field calculations using level shift technique based on pair-excited perturbative selection”(poster)