"Y. Mochizuki,H.-J. Sung,T. Gake,F. Oba","Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic Perovskite Oxides: A First-Principles Study","MRM2023/IUMRS-ICA2023",,,,,,2023,Dec.
"Fumiyasu Oba","Computational design and exploration of nitride and oxide semiconductors","13th International Conference on Advanced Materials and Devices",,,,,,2023,Dec.
"Takanori Ishii,Akira Takahashi,Teruya Nagafuji,Fumiyasu Oba","Systematic analysis of oxygen vacancies in α-(AlxGa1-x )2O3 alloys using first-principles calculations","MRM2023/IUMRS-ICA2023",,,,,,2023,Dec.
"Teruya Nagafuji,Tomoya Gake,Akira Takahashi,Soungmin Bae,Fumiyasu Oba","Defect formation and carrier compensation in La2SnO2S3: a first-principles study","MRM2023/IUMRS-ICA2023",,,,,,2023,Dec.
"Keita Kono,Akira Takahashi,Yu Kumagai,Fumiyasu Oba","転移学習とベイズ最適化を用いた材料探索手法の開発","第３３回日本MRS年次大会",,,,,,2023,Nov.
"Teruya Nagafuji,Tomoya Gake,?星旻,Akira Takahashi,Fumiyasu Oba","第一原理計算を用いたLa2SnO2S3におけるキャリア生成・補償機構の解明","第43回電子材料研究討論会",,,,,,2023,Nov.
"Takanori Ishii,Akira Takahashi,Teruya Nagafuji,Fumiyasu Oba","第一原理計算によるα-(AlxGa1-x )2O3固溶体の酸素空孔の系統的解析","第43回電子材料研究討論会",,,,,,2023,Nov.
"Akira Takahashi,Fumiyasu Oba","Autonomous Materials Screening Using High-Throughput Theoretical Calculation and Machine Learning","The 3rd International Symposium on Design & Engineering by Joint Inverse Innovation for Materials Architecture (DEJI2MA-3)",,,,,,2023,Oct.
"Teruya Nagafuji,Tomoya Gake,Soungmin Bae,Akira Takahashi,Fumiyasu Oba","First-principles study of point defect formation in La2SnO2S3","The 3rd International Symposium on Design & Engineering by Joint Inverse Innovation for Materials Architecture",,,,,,2023,Oct.
"Ryosuke Nakagawa,Akira Takahashi,Nobuya Sato,Fumiyasu Oba","Local environment analysis of oxides using clustering method","The 3rd International Symposium on Design & Engineering by Joint Inverse Innovation for Materials Architecture",,,,,,2023,Oct.
"Takanori Ishii,Akira Takahashi,Teruya Nagafuji,Fumiyasu Oba","First-principles calculations of oxygen vacancies in α-(AlxGa1-x )2O3","The 3rd International Symposium on Design & Engineering by Joint Inverse Innovation for Materials Architecture",,,,,,2023,Oct.
"Akira Takahashi,Kei Terayama,Yu Kumagai,Ryo Tamura,Fumiyasu Oba","Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system",,"Science and Technology of Advanced Materials: Methods","Taylor & Francis","Vol. 3","No. 1","  2261834",2023,Oct.
"Kosuke,Takayoshi Katase,Yu Kumagai,Naoki Tsunoda,Kou Harada,Fumiyasu Oba,HIDEO HOSONO","Pd0価ドーピングによる窒化銅半導体のバンド構造制御と熱電特性","日本セラミックス協会第36回秋季シンポジウム",,,,,,2023,Sept.
"Fumiyasu Oba","Computational design and exploration of nitride and oxide semiconductors",,"Journal of the Ceramic Society of Japan",,"vol. 131","issue 8","pp. 392-397",2023,Aug.
"Tianwei Wang,Fumiyasu Oba","Slab surface passivation and its application to band offset calculations for polar heterointerfaces of zinc-blende semiconductors",,"Physical Review Materials","American Physical Society","vol. 7","Issue 8","pp. 084602-1-12",2023,Aug.
"Takanori Ishii,Akira Takahashi,Teruya Nagafuji,Fumiyasu Oba","Oxygen vacancies in α-(AlxGa1−x)2O3 alloys: a first-principles study",,"Applied Physics Express",,"vol. 16",,"pp. 061002",2023,June
"Fumiyasu Oba","第一原理計算による窒化物・酸化物半導体の設計と新材料開拓","ISSPワークショップ「新物質研究の最前線：特徴的なアプローチが導く新物性 ? 新機能」",,,,,,2023,May
"Takafumi Yamamoto,Shogo Kawaguchi,Taiki Kosuge,Akira Sugai,Naoki Tsunoda,Yu Kumagai,Kosuke Beppu,Takuya Ohmi,Teppei Nagase,Kotaro Higashi,Kazuo Kato,Kiyofumi Nitta,Tomoya Uruga,Seiji Yamazoe,Fumiyasu Oba,Tsunehiro Tanaka,Masaki Azuma,Saburo Hosokawa","Emergence of Dynamically‐Disordered Phases During Fast Oxygen Deintercalation Reaction of Layered Perovskite",,"Advanced Science",,"Vol. 10",,"  2301876",2023,Apr.
"Fumiyasu Oba","計算科学に立脚した窒化物･酸化物半導体の設計･探索","日本セラミックス協会2023年年会",,,,,,2023,Mar.
"Takanori Ishii,Akira Takahashi,Teruya Nagafuji,Fumiyasu Oba","第一原理計算によるα-(AlxGa1-x)2O3固溶体の電子状態の系統的解析","日本金属学会2023年春期(第172回)講演大会",,,,,,2023,Mar.
"Takanori Ishii,Akira Takahashi,Teruya Nagafuji,Fumiyasu Oba","α-(AlxGa1-x)2O3固溶体の電子状態の第一原理計算","日本セラミックス協会2023年年会",,,,,,2023,Mar.
"Fumiyasu Oba","第一原理計算による窒化物･酸化物半導体の設計と新材料開拓","第48回ニューセラミックスセミナー",,,,,,2023,Feb.
"Yasuhide Mochizuki,Ha-Jun Sung,Tomoya Gake,Fumiyasu Oba","Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles",,"Chemistry of Materials","American Chemical Society","Vol. 35","Issue 5","pp. 2047-2057",2023,Feb.
"R. Ishikawa,N. Shibata,F. Oba,T. Taniguchi,Y. Ikuhara","Single-atom microscopy in wide-bandgap nitrides",,"International Journal of Applied Ceramic Technology",,"vol. 20",,,2023,Jan.
"Akira Takahashi,Yu Kumagai,Fumiyasu Oba","機械学習を用いた自律的計算材料スクリーニングシステムの開発","金属学会2023年春季大会",,,,,,2023,