"Fumiyasu Oba","第一原理計算による無機材料の特性予測の現状と課題","第32回日本MRS年次大会チュートリアル",,,,,,2022,Dec.
"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.
"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.
"Akira Takahashi,Fumiyasu Oba","Autonomous Materials Exploration System via High-Throughput Calculations and Machine learning","Visual-JW 2022 & DEJI2MA-2",,,,,,2022,Oct.
"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.
"T. Ishii,A. Takahashi,F. Oba","Theoretical Analysis of Similarity in Band Structure between Binary and Ternary Oxides","Visual-JW 2022 & DEJI2MA-2",,,,,,2022,Oct.
"Fumiyasu Oba","第一原理計算による窒化物･酸化物半導体の設計と探索","日本金属学会2022年秋期講演大会",,,,,,2022,Sept.
"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.
"Yasuhide Mochizuki,Takayuki Nagai,Hirokazu Shirakuni,Akitoshi Nakano,Fumiyasu Oba,Ichiro Terasaki,Hiroki Taniguchi","Weak Ferroelectricity of Li2SrNb2O7 Triggered by Two Coexisting Mechanisms","IUMRS-ICYRAM2022",,,,,,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
"Akitoshi Nakano,Hirokazu Shirakuni,Takayuki Nagai,Yasuhide Mochizuki,Fumiyasu Oba,Hiroko Yokota,Shogo Kawaguchi,Ichiro Terasaki,Hiroki Taniguchi","Phase variation of ferroelectric  Li2 Sr1−x Cax (Nb1−xTax)2O7  by selective reinforcement in the (Nb,Ta)-O covalent bonds",,"Physical Review Materials",,"vol. 6",,"pp. 044412",2022,Apr.
"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.