Pacifichem 2015がハワイにて開催されました

Pacifichem 2015 (The International Chemical Congress of Pacific Basin Societies 2015)において、当研究室関連の発表が11件ありました。

場所:Hawaii Convention Center, Honolulu, Hawaii, USA


  • Hiromi Nakai, "Development of linear-scaling excited-state calculations: divide-and-conquer approaches", 12/15 10:50-11:20 #142.
  • Yasuhiro Ikabata, "Density-dependent dispersion correction for density functional theory: local response dispersion approach", 12/17 10:40-11:10 #372.
  • Hiromi Nakai, "Computational study on CO2 chemical absorption process: Thermodynamic and dynamic analyses", 12/17 20:40-21:00 #9.
  • 口頭発表

  • Masahiko Nakano, Ryota Nakamura, Junji Seino, Hiromi Nakai, "Relativistic open-shell Hartree-Fock theory with time-reversal symmetry", 12/15 15:45-16:05 #130.
  • Masaki Okoshi, Patchreenart Saparpakorn, Yuta Takada, Supa Hannongbua, Hiromi Nakai, "Theoretical Study on the Mechanisms of the Selective Fluorescence of PicoGreen", 12/16 15:40-16:00 #142.
  • Junji Seino, Yuya Nakajima, Hiromi Nakai, "Accurate two-component relativistic theory based on local unitary transformation and frozen potential schemes for large molecules including heavy elements", 12/16 16:05-16:25 #130.
  • Yoshifumi Nishimura, Hiroaki Nishizawa, Masato Kobayashi, Stephan Irle, Hiromi Nakai, "Development of massive parallel code for quantum mechanical molecular dynamics simulations: DC-DFTB-K program", 12/19 10:45-11:05 #184.
  • Takeshi Yoshikawa, Hiromi Nakai, "Parallelization of quantum chemical calculations by using divide-and-conquer method", 12/20 11:05-11:25 #184.
  • ポスター発表

  • Yuya Nakajima, Junji Seino, Hiromi Nakai, "Geometries and molecular properties of heavy main-group molecules based on two-component relativistic scheme", 12/16 10:00-12:00 #183.
  • Qi Wang, Yasuhiro Ikabata, Takeshi Yoshikawa, Akira Ueda, Tsuyoshi Murata, Kazuki Kariyazono, Hiroshi Okamoto, Yasushi Morita, Hiromi Nakai, "Theoretical and experimental investigations on near-infrared absorption of trioxotriangulene derivatives with pi-stacked columnar structures", 12/17 10:00-12:00 #756.
  • Atsushi Ishikawa, Hiromi Nakai, "Quantum chemistry calculation for condensed-phase free energy: application to chemical reactions in solution", 12/18 10:00-12:00 #277.
Posted in 学会.