Our group member gave 1 oral and 3 poster presentations at CECAM-Workshop “Thinking outside the box – beyond machine learning for quantum chemistry”.
Date: October 7-11, 2019
Place: Bremen, Germany
- ○Hiromi Nakai, “Semi‐local machine-learned kinetic energy density functional with third-order gradients of electron density”, invited talk.
- 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.