We employ mathematical and simulation methods to study diverse phenomena exhibited by materials and to develop design methodologies for functional materials. Based on the perspective of condensed matter physics, which seeks to understand the properties of materials at the level of atoms and electrons, we actively incorporate practical methods such as phenomenology and machine learning. By approaching material functionality from both fundamental and applied aspects, we aim to construct practical materials design theories without being confined to existing frameworks. (Principal Investigator: Michi-To Suzuki)