In the research Center for Magnetic and Spintronic Materials (CMSM), development of magnetic recording and spintronics devices achieving large-capacity storage and energy-saving computing memories, and the new magnetic materials necessary for the realization of clean energy are performed. To realize these devices, theoretical analysis and predictions at room temperature are required for new magnetic and spintronic materials. The first-principles calculations, which are based on quantum mechanics and only require the atomic configuration of materials as input, play an important role to obtain the fundamental understanding of physical properties. In the spin theory group, we are studying the electronic structures and spin-related phenomenon of magnetic and spintronic materials and devices using the first-principles calculations. By including phonon and magnon contributions in the first-principles calculations with effective model analysis, we perform predictions of the physical properties at finite temperature. We will perform a high-through-put materials design by combining first-principles calculations and the method of materials informatics such as the machine learning and the automatic calculation.