About the Laboratory

The Ishii Group conducts research on the origin of physical properties in quantum and functional materials using first-principles electronic structure calculations, computational science, and AI/data-driven approaches. Our research is based on theoretical physics methods rooted in relativistic quantum mechanics and statistical mechanics. By integrating large-scale simulations on supercomputers with machine learning techniques, we promote the design of novel materials (materials design). Furthermore, we incorporate data-driven approaches utilizing AI technologies such as large language models (LLMs) and image generation to enhance and accelerate materials discovery and property prediction. In particular, we aim to contribute to the design of new functional materials and to the discovery of exotic electronic states and novel physical phenomena in fields such as spintronics and thermoelectric energy conversion.

News

• 2026.10.1: New members have joined the group: Farid Surya Farista as a doctoral student and Albert Fernando Filipus as a master’s student.
• 2026.10.1: Nur Anggita Sari has entered the doctoral program.
• 2026.9.30: We will participate as a cooperating institution in the Next-Generation Computational Science Grand Reach Program, Category D, project “Building a Co-Creation Platform for Materials Science Linked to Next-Generation HPC and Measurement” (FY2026–FY2028).
• 2026.9.25: Yang Jingwen, Zohan Syah Fatomi, and Ahmad Sohib received their doctoral degrees.
• 2026.9.25: Nur Anggita Sari, Sarah Auliyaurrohman Setiawati Sukoco, Md Joynadul Hosain (Sakib), and Arifia Pratiwi Nugraheni received their master’s degrees.
• 2026.4.1: The website has been renewed.
• 2026.4.1: Our project, “Development of First-Principles Methods for Real-Space Imaging of Topological Quantum Transport and Data Assimilation,” has been selected for JSPS KAKENHI (Grant-in-Aid for Scientific Research B, 2026–2029, 26K02924).
• 2026.4.1: We are recruiting undergraduate and graduate students.