"S. Kiyohara,D. Mora-Fonz,A. Shluger,Y. Kumagai,F. Oba","Unique atomic and electronic structures of oxygen vacancies in amorphous SnO2 from first principles and informatics",,"Journal of Physical Chemistry C",,"vol. 126",,"pp. 18833?18838",2022,Nov.
"Yuta Imai,Naoki Tsunoda,Fumiyasu Oba,Yu Kumagai","酸化物の表面近傍における酸素空孔に関する第一原理計算","日本セラミックス協会第42回電子材料研究討論会",,,,,,2022,Nov.
"T. Gake,Y. Kumagai,A. Takahashi,H. Hiramatsu,F. Oba","Defect formation and carrier compensation in layered oxychalcogenide La2CdO2Se2: an insight from first principles",,"Journal of Materials Chemistry C",,"vol. 10",,"pp. 16828",2022,Oct.
"Tomoya Gake,Yu Kumagai,Akira Takahashi,Fumiyasu Oba","La2CdO2Se2中の固有点欠陥に関する理論的検討","日本セラミックス協会第35回秋季シンポジウム",,,,,,2022,Sept.
"K. Matsuzaki,N. Tsunoda,Y. Kumagai,Y. Tang,K. Nomura,F. Oba,HIDEO HOSONO","Hole-doping to a Cu(I)-based semiconductor with an isovalent cation: Utilizing a complex defect as a shallow acceptor",,"Journal of the American Chemical Society",,"vol. 144",,"pp. 16572?16578",2022,Sept.
"Y. Wang,S. Bruy?re,Y. Kumagai,N. Tsunoda,F. Oba,J. Ghanbaja,H. Sun,B. Daib,J. F. Pierson","Tuning the optical band gap and electrical properties of NiO thin films by nitrogen doping: a joint experimental and theoretical study",,"RSC Advances",,"vol. 12,",,"pp. 21940-21945",2022,Aug.
"N. Tsunoda,Y. Kumagai,F. Oba","High-throughput computational study of hydrogen impurities in oxides","The 5th International Union of Materials Research Societies International Conference of Young Researchers on Advanced Materials (IUMRS-ICYRAM 2022)",,,,,,2022,Aug.
"K. Morita,Y. Kumagai,F. Oba,A. Walsh","Switchable electric dipole from polaron localization in dielectric crystals",,"Physical Review Letters",,"vol. 129",,"pp. 017601(1)-017601(6)",2022,June
"Akira Takahashi,Yu Kumagai,Hirotaka Aoki,Ryo Tamura,Fumiyasu Oba","Adaptive sampling methods via machine learning for materials screening",,"Science and Technology of Advanced Materials: Methods",,"Vol. 2","Issue 1","p. 55-66",2022,Apr.
"Naoki Tsunoda,Yu Kumagai,Fumiyasu Oba","金属酸化物中の格子間水素不純物の局所構造及び電荷遷移準位に関する第一原理計算","日本金属学会2022年春期講演大会",,,,,,2022,Mar.
"Tomoya Gake,Yu Kumagai,Fumiyasu Oba","層状オキシカルコゲナイドLa2CdO2Se2中の点欠陥の第一原理計算","日本金属学会2022年春期講演大会",,,,,,2022,Mar.
"N. Tsunoda,Y. Kumagai,F. Oba","Recommendation of interstitial hydrogen positions in metal oxides",,"Computational Materials Science",,"vol. 203",,"pp. 111068",2022,Feb.