Prof. Nakai will give a lecture at The 8th Thailand International Nanotechnology Conference (Nano Thailand 2023) .

Date: November 29 – December 1, 2023
Place: Dusit Thani Pattaya, Chonburi, Thailand

Contents

• 〇Hiromi Nakai，”Computational Studies of Nanomaterials using DCDFTBMD Program”. (Keynote)

Dr. Ono will give a lecture and our group member will give an oral presentation at The 61st Annual Meeting of the Biophysical Society of Japan.

Date: November 14-16, 2023
Place: Nagoya Congress Center

Contents

• 〇Junichi Ono，”Quantum molecular dynamics simulation studies for reactions in rhodopsin proteins”. (Invited Talk)

• 〇Uika Koshimizu, Junichi Ono, Yoshifumi Fukunishi, Hiromi Nakai，”Discovery of potent covalent inhibitors against SARS-CoV-2 main protease by hybrid in silico drug study”. (Oral)

Our group member will give 1 poster presentation at Chem-Bio Informatics Society (CBI) Annual Meeting 2023.

Date: October 23-26, 2023
Place: Tower Hall Funabori, Tokyo

Contents

• 〇Uika KOSHIMIZU, Junichi ONO, Yoshifumi FUKUNISHI, Hiromi NAKAI，”Discovery and evaluation of potent covalent inhibitors targeting SARS-CoV-2 main protease by hybrid in silico drug study”.

Our group member will give 1 poster presentation at International Conference on Chemistry and Material Sciences 2023 (IC2MS) .

Date: October 11-12, 2023
Place: Grand Mercure Mirama Hotel, Malang, Indonesia

Contents

• 〇Kensuke Ishida，Hiromi Nakai，Aditya Wibawa Sakti，”Quantum Molecular Simulations for Lithium-Ion Transport in Solid Polymer Electrolyte of Layered Cellulose and Its Derivatives”.

Dr. Nishimura will give a poster presentation at The 6th International Conference on Molecular Simulation (ICMS 2023) .

Date: October 6-9, 2023
Place: Boya Lecture Building, National Taiwan University (NTU), Taipei, Taiwan

Contents

• ○Yoshifumi Nishimura, Hiromi Nakai,　”Species-selective Quantum Chemical Nanoreactor: Accelerated Sampling of Complex Chemical Processes”

Our group member will give 1 oral and 3 poster presentations at The 17th Annual Meeting of Japan Society for Molecular Science.

Date: September 12-15, 2023
Place: Toyonaka Campus of Osaka University

Contents

• 〇髙島千波、中井浩巳，”無限次2成分法に基づく長距離補正密度汎関数理論の開発”(口頭発表).
• 〇藤澤遼、藤波美起登、中井浩巳，”機械学習型電子相関モデルの第4周期元素への拡張”(ポスター).
• 〇西村龍星、吉川武司、坂田健、中井浩巳，”動的分極率を用いた分割統治非局所励起状態計算法に対する全系主配置解析”(ポスター).
• 〇大島 玲生, 髙島千波, 田嶋一輝, 吉川武司, 中井浩巳，”対励起型摂動選択による軌道のレベルシフトを適用した分割統治法の開発”(ポスター).

Prof. Nakai will give a lecture and our group members will give 6 poster presentations at Theory and Applications of Computational Chemistry (TACC2023) .

Date: September 4-9, 2023
Place: Hokkaido University, Sapporo, Japan

Contents

• 〇Hiromi Nakai，”Chemical Concept for Understanding the S0/S1 Minimum Energy Conical Intersection”(Invited Talk).
• 〇Yoshifumi Nishimura, Hiromi Nakai，”Extension and acceleration of nanoreactor molecular dynamics based on species-selective algorithm and linear-scaling tight-binding quantum chemical computations”(poster).
• 〇Chinami Takashima and Hiromi Nakai，”Long-range corrected density functional theory calculation with the infinite-order two-component Hamiltonian”(poster).
• 〇Ryo Fujisawa, Mikito Fujinami, Hiromi Nakai，”Development of machine-learned electron correlation model including the fourth-row elements”(poster).
• 〇Ryusei Nishimura, Takeshi Yoshikawa, Kent Sakata, Hiromi Nakai，”Main Configuration Analysis for Divide-and-Conquer Excited-State Calculations using Frequency-Dependent Polarizability”(poster).
• 〇Ryosuke Sasaki, Mikito Fujinami, Hiromi Nakai，”Utilization of image recognition for chemical experiments toward development of automated electronic laboratory notebook”(poster).
• 〇Rei Oshima, Chinami Takashima, Kazuki Tajima, Takeshi Yoshikawa, Hiromi Nakai，”Solving unstable behavior of divide-and-conquer self-consistent field calculations using level shift technique based on pair-excited perturbative selection”(poster)