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
- 2026.4.1: The website has been renewed.
- 2026.4.1: Our project has been selected for JSPS KAKENHI (Grant-in-Aid for Scientific Research B, 2026-2029).
- 2026.4.1: We are recruiting undergraduate and graduate students.