Ceramics range from structural components to materials that support advanced technologies such as semiconductors, dielectrics, and ionic conductors. Conventional ceramic research has been conducted by experimentally preparing samples and evaluating their performance. However, relying solely on experiment makes it difficult to significantly accelerate the search for new materials. On the other hand, computational performance has been developing exponentially, and in recent years it has become possible to predict material properties without conducting experiments using calculations based on quantum mechanics. Under this circumstance, our group aims to significantly accelerate ceramic research and discover new ceramic materials useful to society by using advanced computation technique and machine learning and by collaborating closely with experimental groups. We also aim to construct universal principles by taking a bird's-eye view of materials based on large-scale computational data.
Materials Processing and Characterization Division
Multi-Functional Materials Science Research Laboratory
Prof.Yu KUMAGAI
- Senior Assist. Prof. Shin KIYOHARA
- Assist. Prof. Soungmin BAE
- Assist. Prof. Thi Ngoc Huyen VU
- Assist. Prof. Kairi MASUDA
New Ceramic Materials Research by Integration of Advanced Computational Technology and Informatics
computational material science, materials informatics, ceramic materials
(a) Machine-learning accuracy of oxygen vacancy formation energies in three diff erent charge states.
(b) Thirty-two oxides identifi ed as potential p-type conducting oxides, screened from a dataset of 1,809 oxides.