Research Director

Yu Kumagai

Materials Research Center for Element Strategy, Tokyo Institute of Technology
Project Associate Professor
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Outline

The computational materials databases have been essential for modern materials science and engineering. The conventional databases, however, are not useful for exploring promising electronic materials because both the accuracy and essential physical quantities are lacking. Therefore, in this research, I attempt to develop a new database which includes accurate physical quantities of band structures, ionization potentials, and point defects by use of a combination of quantum mechanics-based computational procedures and machine learning techniques.