@article{CTT100865898,
  author = {Y. Kumagai and N. Tsunoda and A. Takahashi and F. Oba},
  title = {Insights into oxygen vacancies from high-throughput first-principles calculations},
  journal = {Physical Review Materials},
  year = 2021,
}

@article{CTT100863415,
  author = {R. Kikuchi and T. Nakamura and T. Kurabuchi and Y. Kaneko and Y. Kumagai and F. Oba},
  title = {Theoretical Prediction and Thin-Film Growth of the Defect-Tolerant Nitride Semiconductor YZn3N3},
  journal = {Chemistry of Materials},
  year = 2021,
}

@article{CTT100863407,
  author = {T. Gake and Y. Kumagai and A. Takahashi and F. Oba},
  title = {Point defects in p-type transparent conductive CuMO2 (M = Al, Ga, In) from first principles},
  journal = {Physical Review Materials},
  year = 2021,
}

@article{CTT100848148,
  author = {R. Kikuchi and K. Ueno and T. Nakamura and T. Kurabuchi and Y. Kaneko and Y. Kumagai and F. Oba},
  title = {SrZn2N2 as a solar absorber: Theoretical defect chemistry and synthesis by metal alloy nitridation},
  journal = {Chemistry of Materials},
  year = 2021,
}

@article{CTT100844417,
  author = {Yasuhide Mochizuki and Takayuki Nagai and Hirokazu Shirakuni and Akitoshi Nakano and Fumiyasu Oba and Ichiro Terasaki and Hiroki Taniguchi},
  title = {Coexisting mechanisms for ferroelectric phase transition in Li2SrNb2O7},
  journal = {Chemistry of Materials},
  year = 2021,
}

@inproceedings{CTT100865039,
  author = {Yasuhide Mochizuki and Takayuki Nagai and Hirokazu Shirakuni and Akitoshi Nakano and Fumiyasu Oba and Ichiro Terasaki and Hiroki Taniguchi},
  title = {Two Coexisting Mechanisms for Ferroelectric Phase Transition in Li2SrNb2O7},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100867256,
  author = {Akira Takahashi and Yu Kumagai and Hirotaka Aoki and Fumiyasu Oba},
  title = {ハイスループットスクリーニングのためのadaptive sampling手法の開発},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100865900,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {Efficient exploration of proton sites in metal oxides},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100865897,
  author = {F. Oba},
  title = {Computational design and exploration of ternary zinc nitride semiconductors},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100865703,
  author = {Y. Kumagai and A. Takahashi and F. Oba},
  title = {Automation of first-principles point defect calculations for non-metallic materials},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100865702,
  author = {S. Kiyohara and D. M. Fonz and A. Shluger and Y. Kumagai and F. Oba},
  title = {Analysis of unique atomic and electronic structures of oxygen vacancies in amorphous SnO2 by first-principles calculations and machine learning},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100865662,
  author = {T. Gake and Y. Kumagai and A. Takahashi and F. Oba},
  title = {Point Defects in CuMO2 (M = Al, Ga, In): A First-Principles Study},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100863944,
  author = {Fumiyasu Oba},
  title = {窒化物・酸化物半導体の点欠陥特性の理論予測と材料設計・探索},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100860581,
  author = {Yasuhide Mochizuki and Takayuki Nagai and Hirokazu Shirakuni and Akitoshi Nakano and Fumiyasu Oba and Ichiro Terasaki and Hiroki Taniguchi},
  title = {Two Coexisting Mechanisms in Weak Ferroelectricity of Li2SrNb2O7},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100863948,
  author = {T. Gake and Y. Kumagai and A. Takahashi and F. Oba},
  title = {First-principles study of point defects in CuMO2 (M = Al, Ga, In)},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100863949,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {Prediction of interstitial proton positions in metal oxides},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100863945,
  author = {Fumiyasu Oba},
  title = {第一原理計算による無機材料特性の系統的予測とデータ駆動型新材料探索},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100846223,
  author = {Ryosuke Kikuchi and 中村透 and 藏渕孝浩 and 金子泰 and Yu Kumagai and Fumiyasu Oba},
  title = {3元系亜鉛窒化物半導体YZn3N3の第一原理計算による物性予測とスパッタリング薄膜の作製},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100846225,
  author = {Fumiyasu Oba},
  title = {第一原理計算による半導体物性の系統的予測とデータ駆動型新物質探索},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100846224,
  author = {Fumiyasu Oba},
  title = {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},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100846222,
  author = {Akira Takahashi and Hirotaka Aoki and Yu Kumagai and Fumiyasu Oba},
  title = {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効率的探索手法の開発},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100846221,
  author = {Fumiyasu Oba},
  title = {新規半導体・誘電体の開拓に向けたデータ駆動型材料探索},
  booktitle = {},
  year = 2021,
}

@misc{CTT100785215,
  author = {Kosuke and HIDEO HOSONO and Fumiyasu Oba and Yu Kumagai and Kou Harada and Hideya Kumomi},
  title = {窒化銅半導体およびその製造方法},
  howpublished = {RegisteredPatent},
  year = 2021,
  month  = {},
  note   = {特願2017-041774(2017/03/06), 特開2018-148031(2018/09/20), 特許第6951734号(2021/09/29)}
}