"Ryosuke Kikuchi,上野航輝,中村透,藏渕孝浩,金子泰,Yu Kumagai,Fumiyasu Oba","First-principles study and synthesis of SrZn2N2 for solar absorber","第30回日本MRS年次大会",,,,,,2020,Dec.
"Hirotaka Aoki,Ryo Takahashi,Yu Kumagai,Fumiyasu Oba","Exploration of green-light emitting semiconductors using computational materials database and machine learning","第30回日本MRS年次大会",,,,,,2020,Dec.
"Ryosuke Kikuchi,上野航輝,中村透,藏渕孝浩,金子泰,Yu Kumagai,Fumiyasu Oba","光エネルギー変換応用を目的とした3元系亜鉛窒化物の第一原理計算による物性予測と合成","第40回電子材料研究討論会",,,,,,2020,Nov.
"Yasuhide Mochizuki,Hirofumi Akamatsu,Yu Kumagai,Ha-Jun SUNG,Akira Takahashi,Takayuki Nagai,Hiroki Taniguchi,Fumiyasu Oba","第一原理格子動力学計算を用いたペロブスカイト物質の構造探索","第40回電子材料研究討論会",,,,,,2020,Nov.
"Fumiyasu Oba","ハイスループット第一原理計算による無機材料の設計・予測と新材料探索","日本学術振興会第181委員会第34回研究会「マテリアルズ・インフォマティクス」",,,,,,2020,Nov.
"Akira Takahashi,Yu Kumagai,Jun Miyamoto,Yasuhide Mochizuki,Fumiyasu Oba","Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations",,"Physical Review Materials","American Physical Society","Vol. 4","Issue 10","p. 103801",2020,Oct.
"Y. Kuroiwa,Y. Matsushita,F. Oba","Unraveling crystal symmetry and strain effects on electronic band structures of SiC polytypes",,"AIP Advances","AIP Publishing","vol. 10",,"pp. 105014",2020,Oct.
"T. Murata,H. Akamatsu,D. Hirai,F. Oba,S. Hirose","Antiferroelectricity and robust dielectric response owing to competing polar and antipolar instabilities in tetragonal tungsten bronze K2RNb5O15 (R: rare-earth)",,"Physical Review Materials","American Physical Society","vol. 4",,"pp. 104419",2020,Oct.
"Yu Ding,Yu Kumagai,Fumiyasu Oba,Lee A. Burton","Data-Mining Element Charges in Inorganic Materials",,"The Journal of Physical Chemistry Letters","American Chemical Society","vol. 11","no. 19","pp. 8264?8267",2020,Aug.
"Ha-Jun Sung,Yasuhide Mochizuki,Fumiyasu Oba","Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites",,"Physical Review Materials",,"Vol. 4","No. 4","pp. 044606",2020,Apr.
"Yasuhide Mochizuki,Ha-Jun Sung,Akira Takahashi,Yu Kumagai,Fumiyasu Oba","Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi)",,"Physical Review Materials",,"Vol. 4","No. 4","pp. 044601",2020,Apr.
"Christian A.  Niedermeier,Yu Kumagai,Keisuke Ide,Takayoshi Katase,Fumiyasu Oba,Hideo Hosono,Toshio Kamiya","Phonon scattering limited mobility in the representative cubic perovskite semiconductors SrGeO3, BaSnO3, and SrTiO3",,"Phys. Rev. B",,"  101",,"  125206-1-10",2020,Mar.
"Hirotaka Aoki,Jun Miyamoto,Akira Takahashi,Yu Kumagai,Fumiyasu Oba","計算材料データベースと機械学習を用いた緑色発光半導体の探索","日本金属学会2020年春期講演大会",,,,,,2020,Mar.
"Yasuhide Mochizuki,Yu Kumagai,Hirofumi Akamatsu,Fumiyasu Oba","第一原理計算によるアンチヘ?ロフ?スカイトの歪誘起ホ?ーラーメタル相の理論予測","日本金属学会2020年春期講演大会",,,,,,2020,Mar.
"Tomoya Gake,Yu Kumagai,Fumiyasu Oba","酸化ガリウム多形における自己束縛正孔の第一原理計算による検討","第67回応用物理学会春季学術講演会",,,,,,2020,Mar.
"白邦 裕千,永井 隆之,Yasuhide Mochizuki,Fumiyasu Oba,中埜 彰俊,寺崎 一郎,Hiroki Taniguchi","擬 Ruddlesden-Popper 型酸化物 Li2SrNb2O7の元素置換効果","第75回日本物理学会年次大会",,,,,,2020,Mar.
"Shusaku Hayakawa,Kou Harada,Yasuhide Mochizuki,Akira Takahashi,Yu Kumagai,Fumiyasu Oba","窒化イットリウムの点欠陥に関する第一原理計算","日本金属学会2020年春期講演大会",,,,,,2020,Mar.
"Takayuki Nagai,Yasuhide Mochizuki,Hirokazu Shirakuni,Akitoshi Nakano,Fumiyasu Oba,Ichiro Terasaki,Hiroki Taniguchi","Phase Transition from Weak Ferroelectricity to Incipient Ferroelectricity in Li2Sr(Nb1-xTax)2O7",,"Chemistry of Materials",,"Vol. 32","No. 2","pp. 744",2020,Jan.
"T. Gake,Y. Kumagai,C. Freysoldt,F. Oba","Finite-size corrections for defect-involving vertical transitions in supercell calculations",,"Physical Review B","American Physical Society","vol. 101",,"pp. 020102(R)",2020,Jan.