Center for Computational Materials Science
Institute for Materials Research,
Tohoku University


Electrons in material exhibit various physical phenomena such as conductivity and magnetism in a large degree of freedom through interaction between electrons and atomic nucleus.

Our research group focus on material's property and its mechanism, methods to predict material property, and framework to design functional materials based on the analysis of electronic states by using first-principles theoretical methods and mathematical tools such as group theory.

Recent topics includes:

- Electronic states and physical phenomena in antiferromagnets
- Topology of electronic structures and response phenomena
- Magnetic structure prediction based on representation theory of magnetic group and first-principles calculation
- First-principles calculations for heavy fermion systems
- Multipole degree of freedom in material