Prof. Nakai will give lectures and our group members will give 4 poster presentations at The 2025 International Chemical Congress of Pacific Basin Societies (Pacifichem)

Date: December 15-20, 2025
Place: Honolulu, Hawaii

Contents

• 〇Hiromi Nakai, Mikito Fujinami, “Exploring oxaza[7]dehydrohelicene derivatives with strong circularly polarized luminescence using machine learning and time-dependent density functional theory”(Invited Talk).
• 〇Hiromi Nakai,“Overcoming limitations of fragmentation methods for non-local interactions”(Invited Talk)
• 〇Chinami takashima, Hiromi Nakai, “Electron correlation method based on two-particle reduced density matrix toward large-scale systems”(Poster)
• 〇Rei Oshima, Hiromi Nakai, “Efficient SCF convergence method using Givens rotation and error back propagation”(Poster)
• 〇Ryusei Nishimura, Takeshi Yoshikawa, Ken Sakata, Hiromi Nakai, “Geometry Optimization of Delocalized Excited States via the Divide-and-Conquer Approach”(Poster)
• 〇Miyu Onishi, Ayako Nakata, Hiromi Nakai, “Theoretical investigation of supported metal nanoparticle via first-principles calculation”(Poster)

Mr. Ohsima (D2) will give oral presentation at The Annual Meeting of Taiwan Theoretical and Computational Molecular Sciences Association(T2C0MSA).2025

Date: Date: August 21-22, 2025
Place: College of Science, National Sun-Yat sen University, Taiwan

Content

• 〇Rei Oshima, Hiromi Nakai，”Direct minimization method for SCF solution combining Givens rotation and error backpropagation”(Oral presentation).

The 38th Quantum Chemistry Seminar will be held at Waseda University.

Prof. Andrés Reyes will give a lecture.

Date and Time: Tuesday, August 5, 2025, 16:00-17:40
Venue: Room 904, Building 55S, Nishiwaseda Campus, Waseda University

Presentation Title:“My name is Bond, positron bond”

Prof. Nakai will give an invited talk and Dr. Takashima will give poster presentation at 13th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2025).

Date: Date: June 22-27, 2025
Place: Oslo, Norway

Contents

• 〇Hiromi Nakai, ”Breaking Barriers in Fragmentation Methods for Long-Range Interactions”(Invited Talk).
• 〇Chinami Takashima, Hiromi Nakai, ”Parallel implementation of two-electron integral transformation in infinite-order two-component theory”(Poster).

Prof. Nakai will give an invited talk and our group members will give 4 poster presentations at 10th Triennial Conference on Molecular Quantum Mechanics (MQM2025).

Date: May 23-28, 2025
Place: Kyoto, Japan

Contents

• 〇Hiromi Nakai, ”Professor Hiroshi Nakatsuji:In Pursuit of Quantum Chemical Principles”(Invited Talk).
• 〇Chinami Takashima, Hiromi Nakai, ”Parallel computing of two-electron integrals in two-component relativistic theory”(Poster).
• 〇Rei Oshima, Hiromi Nakai, ”Development of direct minimization method for SCF solution combining Givens rotation and error back propagation”(Poster).
• 〇Ryusei Nishimura, Takeshi Yoshikawa, Ken Sakata, Hiromi Nakai, ”Geometry Optimization of Non-Local Excited States Using Divide-and-Conquer Method”(Poster).
• 〇Miyu Onishi, Ayako Nakata, Hiromi Nakai, ”Analysis of supported metal nanoparticles using first principles calculation”(Poster).