Dr. Seino gave a special lecture on “Relativistic Quantum Chemistry” at the 9th Quantum Chemistry School (IMS)
Dr. Ikabata gave an invited talk at ICMS2019.
Date: November 3-6, 2019
Venue: Lotte Hotel Jeju, Korea
Authors: Yasuhiro Ikabata, Takuro Nudejima, Junji Seino, Takeshi Yoshikawa, Hiromi Nakai
Title: Machine-Learned Correlation Model for Accurate and Efficient Computation of Correlation Energy
Presentation: November 6, 11:00-11:20
Nana Komoto (M2) received the Poster Award at the APATCC 2019 Conference.
Author: Nana Komoto, Takeshi Yoshikawa, Junichi Ono, Yoshifumi Nishimura, Hiromi Nakai,
Title: “Practical excited-state simulation of thousands of atoms”
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.
Dr. Yoshikawa gave an invited talk at the 8th ADAC Workshop.
Date: October 30-31, 2019
Venue: University of Tokyo, Kashiwa, Japan
Author: Takeshi Yoshikawa
Title: GPU-Accelerated Large-Scale Excited-State Simulation Based on Divide-and-Conquer Time-Dependent Density-Functional Tight-Binding