Labs in Nagoya University, Graduate School of Engineering, Department of Materials Science

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A research group that explores the atomic structure of complex materials through large-scale first-principles calculations.

The lab uses first-principles calculations to clarify the atomic-scale structures and properties of matter and materials. First-principles calculations are computationally very expensive, which has made it difficult to handle large, complex systems containing many atoms. Together with a group in the UK, the lab has developed its own computational method and program that can handle large systems, and uses them to study defects, surfaces and interfaces, and nanostructured materials. Students can join the lab from graduate school. Research is carried out at the National Institute for Materials Science (NIMS) in Tsukuba, Ibaraki.

#First-principles calculations #Order-N methods #Machine learning