DFTBに関する国際会議CECAM-Workshopにて、招待講演(1件)とポスター発表(3件)を行いました

CECAM-Workshop "Thinking outside the box - beyond machine learning for quantum chemistry"にて、招待講演(1件)とポスター発表(3件)を行いました。

Date: 2019年10月7日(月)-11日(金)
Place: Bremen, Germany

招待講演

  • ○Hiromi Nakai, "Semi‐local machine-learned kinetic energy density functional with third-order gradients of electron density", invited talk.

ポスター発表

  • Aditya Sakti, ○Chien-Pin Chou, Hiromi Nakai, "Density-Functional Tight-Binding Metadynamics Study of Oxy-Carbon Diffusion on (100)-γ-Al2O3 Surface", poster.
  • ○Junichi Ono, Chien-Pin Chou, Hiromi Nakai, "Long-time quantum molecular dynamics simulations based on divide-and-conquer density-functional tight-binding method for sodium-ion transport in electrolyte solutions", poster.
  • ○Yoshifumi Nishimura, Hiromi Nakai, "Hierarchical parallelization of DFTB simulations with DCDFTBMD", poster.
Posted in 学会・講演会.