Dr. Seino gave a special lecture on “Relativistic Quantum Chemistry” at the 9th Quantum Chemistry School (IMS)
Monthly Archives: November 2019
Dr. Ikabata gave an invited talk at The 5th International Conference on Molecular Simulation (ICMS2019)
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
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”
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
Invited Talk
- ○Hiromi Nakai, “Semi‐local machine-learned kinetic energy density functional with third-order gradients of electron density”, invited talk.
Poster Presentation
- 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
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