Kyoto University · Faculty of Engineering / Graduate School of Engineering

Research keywordsmaterials informatics・first-principles calculations・machine learning potentials・cluster expansion・crystal structure prediction・lithium ion conductors・grain boundary properties・materials discovery

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• 第一原理熱力学計算によるセラミックス材料の相平衡セラミックス,
• 高精度第一原理計算に基づいた定量的な材料予測--マテリアルズ・インフォマティクスの展開 (特集 セラミックス計算材料設計の進展)セラミックス,
• Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles studyPHYSICAL REVIEW B,
• First-Principles Selection of Solute Elements for Er-Stabilized Bi2O3 Oxide-Ion Conductor with Improved Long-Term Stability at Moderate TemperaturesCHEMISTRY OF MATERIALS,

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