@article{CTT100907339,
  author = {Akira Takahashi and Kei Terayama and Yu Kumagai and Ryo Tamura and Fumiyasu Oba},
  title = {Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system},
  journal = {Science and Technology of Advanced Materials: Methods},
  year = 2023,
}

@article{CTT100900119,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {Oxygen vacancies in α-(AlxGa1−x)2O3 alloys: a first-principles study},
  journal = {Applied Physics Express},
  year = 2023,
}

@article{CTT100883787,
  author = {T. Gake and Y. Kumagai and A. Takahashi and H. Hiramatsu and F. Oba},
  title = {Defect formation and carrier compensation in layered oxychalcogenide La2CdO2Se2: an insight from first principles},
  journal = {Journal of Materials Chemistry C},
  year = 2022,
}

@article{CTT100869116,
  author = {Akira Takahashi and Yu Kumagai and Hirotaka Aoki and Ryo Tamura and Fumiyasu Oba},
  title = {Adaptive sampling methods via machine learning for materials screening},
  journal = {Science and Technology of Advanced Materials: Methods},
  year = 2022,
}

@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{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{CTT100846560,
  author = {Takashi Harumoto and Ji Shi and Yoshio Nakamura and Akira Takahashi},
  title = {Origin of large magnetostriction in palladium cobalt and palladium nickel alloys: Strong pseudo-dipole interactions between palladium–cobalt and palladium–nickel atomic pairs},
  journal = {Appl. Phys. Lett.},
  year = 2021,
}

@article{CTT100835397,
  author = {Akira Takahashi and Yu Kumagai and Jun Miyamoto and Yasuhide Mochizuki and Fumiyasu Oba},
  title = {Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations},
  journal = {Physical Review Materials},
  year = 2020,
}

@article{CTT100821411,
  author = {Yasuhide Mochizuki and Ha-Jun Sung and Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi)},
  journal = {Physical Review Materials},
  year = 2020,
}

@article{CTT100775518,
  author = {Naoki Tsunoda and Yu Kumagai and Akira Takahashi and Fumiyasu Oba},
  title = {Electrically Benign Defect Behavior in Zinc Tin Nitride Revealed from First Principles},
  journal = {Physical Review Applied},
  year = 2018,
}

@article{CTT100792409,
  author = {Akira Takahashi and Atsuto Seko and Isao Tanaka},
  title = {Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power},
  journal = {The Journal of Chemical Physics},
  year = 2018,
}

@inproceedings{CTT100911656,
  author = {Ryosuke Nakagawa and Akira Takahashi and 佐藤暢哉 and 王天威 and Fumiyasu Oba},
  title = {Bi系酸化物における局所構造・物性の統計解析},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100910045,
  author = {Akira Takahashi and Keita Kono and Yu Kumagai and Fumiyasu Oba},
  title = {転移学習を用いた自律的計算材料スクリーニング手法の開発},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100909752,
  author = {Akira Takahashi},
  title = {材料探索に向けた大規模計算材料データベースの構築と活用の手法},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100911655,
  author = {Teruya Nagafuji and Tomoya Gake and 裵星旻 and Akira Takahashi and Fumiyasu Oba},
  title = {La2SnO2S3における点欠陥及び自己束縛電子に関する第一原理計算},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100911654,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {Systematic computational analysis of oxygen vacancies in α-(AlxGa1-x)2O3 alloys},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100911652,
  author = {Teruya Nagafuji and Tomoya Gake and Soungmin Bae and Akira Takahashi and Fumiyasu Oba},
  title = {Clarification of point defect formation in La2SnO2S3 by first-principles calculations},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100911651,
  author = {Ryosuke Nakagawa and Akira Takahashi and 佐藤暢哉 and 王天威 and Fumiyasu Oba},
  title = {Bi系酸化物の局所構造・電子状態の系統的理論解析},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100911650,
  author = {Teruya Nagafuji and Tomoya Gake and 裵星旻 and Akira Takahashi and Fumiyasu Oba},
  title = {層状オキシサルファイドLa2SnO2S3における点欠陥・キャリア生成に関する第一原理計算},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100907978,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {Systematic analysis of oxygen vacancies in α-(AlxGa1-x )2O3 alloys using first-principles calculations},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907982,
  author = {Teruya Nagafuji and Tomoya Gake and Akira Takahashi and Soungmin Bae and Fumiyasu Oba},
  title = {Defect formation and carrier compensation in La2SnO2S3: a first-principles study},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907983,
  author = {Teruya Nagafuji and Tomoya Gake and 裵星旻 and Akira Takahashi and Fumiyasu Oba},
  title = {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},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907397,
  author = {Keita Kono and Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {転移学習とベイズ最適化を用いた材料探索手法の開発},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907979,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {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},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907981,
  author = {Ryosuke Nakagawa and Akira Takahashi and Nobuya Sato and Fumiyasu Oba},
  title = {Local environment analysis of oxides using clustering method},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907985,
  author = {Akira Takahashi and Fumiyasu Oba},
  title = {Autonomous Materials Screening Using High-Throughput Theoretical Calculation and Machine Learning},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907984,
  author = {Teruya Nagafuji and Tomoya Gake and Soungmin Bae and Akira Takahashi and Fumiyasu Oba},
  title = {First-principles study of point defect formation in La2SnO2S3},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907980,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {First-principles calculations of oxygen vacancies in α-(AlxGa1-x )2O3},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100903188,
  author = {Yuki Hirata and Kanta Yoshii and Justyna Kulczyk-Malecka and Yagya Regmi and Akira Takahashi and Hiroki Akasaka and Naoto Ohtake},
  title = {Magnetron sputter deposited hexagonal boron nitride nanosheets for use of proton exchange membrane fuel cells},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907402,
  author = {Akira Takahashi},
  title = {ハイスループット計算技術と 機械学習を⽤いた⾃律的材料探索},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890849,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {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},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890848,
  author = {Takanori Ishii and Akira Takahashi and Teruya Nagafuji and Fumiyasu Oba},
  title = {α-(AlxGa1-x)2O3固溶体の電子状態の第一原理計算},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100891084,
  author = {Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {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},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100885981,
  author = {Akira Takahashi},
  title = {Automatic Materials Screening System Using First-Principles Calculations and Machine Learning},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100886711,
  author = {T. Ishii and A. Takahashi and F. Oba},
  title = {Theoretical Analysis of Similarity in Band Structure between Binary and Ternary Oxides},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100904296,
  author = {Akira Takahashi and Fumiyasu Oba},
  title = {Autonomous Materials Exploration System via High-Throughput Calculations and Machine learning},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100882908,
  author = {Akira Takahashi},
  title = {計算材料スクリーニング×データ科学},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100882012,
  author = {Tomoya Gake and Yu Kumagai and Akira Takahashi and Fumiyasu Oba},
  title = {La2CdO2Se2中の固有点欠陥に関する理論的検討},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100907405,
  author = {Akira Takahashi},
  title = {Development of efficient material exploration method by high-throughput first-principles calculations and active learning technique},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100867255,
  author = {Akira Takahashi},
  title = {半導体・誘電体材料を対象とした計算材料データベースの開発と応用},
  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{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{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{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{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{CTT100841413,
  author = {Yasuhide Mochizuki and Hirofumi Akamatsu and Yu Kumagai and Ha-Jun SUNG and Akira Takahashi and Takayuki Nagai and Hiroki Taniguchi and Fumiyasu Oba},
  title = {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},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820967,
  author = {Shusaku Hayakawa and Kou Harada and Yasuhide Mochizuki and Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {窒化イットリウムの点欠陥に関する第一原理計算},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100821894,
  author = {Hirotaka Aoki and Jun Miyamoto and Akira Takahashi 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探索},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820130,
  author = {Yu Kumagai and Akira Takahashi and Fumiyasu Oba},
  title = {High-Throughput Calculations and Machine-Learning Prediction of Oxygen Vacancy Formation Energies},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809597,
  author = {Yasuhide Mochizuki and Ha-Jun SUNG and Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {ニクタイドアンチペロブスカイトにおける安定構造探索},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809882,
  author = {Akira Takahashi and Yu Kumagai and Jun Miyamoto and Fumiyasu Oba},
  title = {Prediction of Material Properties from First Principles and Machine Learning},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809883,
  author = {Akira Takahashi and Yu Kumagai and Jun Miyamoto and Yasuhide Mochizuki and Fumiyasu Oba},
  title = {Machine Learning Model for Predicting Dielectric Constants of Oxides},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100808914,
  author = {Yasuhide Mochizuki and Ha-Jun Sung and Akira Takahashi and Yu Kumagai and Fumiyasu Oba},
  title = {Ground-State Structure Search for Pnictide Antiperovskites},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809884,
  author = {Akira Takahashi and Yu Kumagai and Jun Miyamoto and Yasuhide Mochizuki and Fumiyasu Oba},
  title = {酸化物誘電率計算データベースと機械学習による誘電率予測モデルの構築},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821954,
  author = {J. Miyamoto and A. Takahashi and Y. Kumagai and F. Oba},
  title = {Machine Learning Model for Predicting Dielectric Constants of Oxides},
  booktitle = {},
  year = 2018,
}

@misc{CTT100907400,
  author = {Akira Takahashi},
  title = {第一原理計算とデータ駆動科学を用いた半導体・誘電体材料探索手法について},
  year = 2023,
}