Kumagai Yu 熊谷悠

Researcher Number	00722464
Other IDs
Affiliation (Current)	2025: 東北大学, 金属材料研究所, 教授
Affiliation (based on the past Project Information) *help	2022 – 2025: 東北大学, 金属材料研究所, 教授 2019 – 2021: 東京工業大学, 科学技術創成研究院, 准教授 2016 – 2017: 東京工業大学, 元素戦略研究センター, 特任准教授 2015: 東京工業大学, 元素戦略研究センター, 特任講師
Review Section/Research Field	Principal Investigator Basic Section 26010:Metallic material properties-related / Medium-sized Section 26:Materials engineering and related fields / Physical properties of metals/Metal-base materials
Keywords	Principal Investigator 第一原理計算 / 機械学習 / 点欠陥 / 表面 / ハイスループット計算 / 酸素空孔 / 表面空孔 / バンド端 / バンド端位置 / マテリアルズインフォマティクス … More / 酸化物 / 格子欠陥 / 計算材料学 / 半導体材料 / 半導体 Less

ユニバーサルな点欠陥形成エネルギーの高精度予測と材料探索への応用Principal Investigator
- Principal Investigator
  
  熊谷悠
- Project Period (FY)
  2025 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Tohoku University
Investigation of oxygen vacancies on oxide surfacesPrincipal Investigator
- Principal Investigator
  
  熊谷悠
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Tohoku University
Understanding and prediction of band-edge energies via machine learningPrincipal Investigator
- Principal Investigator
  
  Kumagai Yu
- Project Period (FY)
  2020 – 2021
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Tokyo Institute of Technology
Systematic understanding of oxygen vacancies and prediction by machine learningPrincipal Investigator
- Principal Investigator
  
  Kumagai Yu
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Tokyo Institute of Technology
Development of computational techniques for discovering novel semiconductors from first principlesPrincipal Investigator
- Principal Investigator
  
  Kumagai Yu
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Physical properties of metals/Metal-base materials
- Research Institution
  Tokyo Institute of Technology

All 2023 2022 2021 2020 2019 2018 2017 2016 2015

All Journal Article Presentation

[Journal Article] Computational materials database for oxides2023
- Author(s)
  熊谷悠
- Journal Title
  
  Oyo Buturi
  
  Volume: 92 Issue: 3 Pages: 172-176
- DOI
  10.11470/oubutsu.92.3_172
- ISSN
  0369-8009, 2188-2290
- Year and Date
  2023-03-01
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23023
[Journal Article] Computational Screening of p-Type Transparent Conducting Oxides Using the Optical Absorption Spectra and Oxygen-Vacancy Formation Energies2023
- Author(s)
  Kumagai Yu
- Journal Title
  
  Physical Review Applied
  
  Volume: 19 Issue: 3
- DOI
  10.1103/physrevapplied.19.034063
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23023
[Journal Article] Recommendation of interstitial hydrogen positions in metal oxides2022
- Author(s)
  Tsunoda Naoki、Kumagai Yu、Oba Fumiyasu
- Journal Title
  
  Computational Materials Science
  
  Volume: 203 Pages: 111068-111068
- DOI
  10.1016/j.commatsci.2021.111068
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H00302, KAKENHI-PROJECT-19H02416, KAKENHI-PROJECT-20J21608
[Journal Article] Insights into oxygen vacancies from high-throughput first-principles calculations2021
- Author(s)
  Kumagai Yu、Tsunoda Naoki、Takahashi Akira、Oba Fumiyasu
- Journal Title
  
  Physical Review Materials
  
  Volume: 5 Issue: 12
- DOI
  10.1103/physrevmaterials.5.123803
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K21076, KAKENHI-PROJECT-19H02416
[Journal Article] Theoretical Prediction and Thin-Film Growth of the Defect-Tolerant Nitride Semiconductor YZn<sub>3</sub>N<sub>3</sub>2021
- Author(s)
  Kikuchi Ryosuke、Nakamura Toru、Kurabuchi Takahiro、Kaneko Yasushi、Kumagai Yu、Oba Fumiyasu
- Journal Title
  
  Chemistry of Materials
  
  Volume: 33 Issue: 21 Pages: 8205-8211
- DOI
  10.1021/acs.chemmater.1c02149
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H00302, KAKENHI-PROJECT-19H02416
[Journal Article] SrZn2N2 as a Solar Absorber: Theoretical Defect Chemistry and Synthesis by Metal Alloy Nitridation2021
- Author(s)
  Kikuchi Ryosuke、Ueno Koki、Nakamura Toru、Kurabuchi Takahiro、Kaneko Yasushi、Kumagai Yu、Oba Fumiyasu
- Journal Title
  
  Chemistry of Materials
  
  Volume: 33 Issue: 8 Pages: 2864-2870
- DOI
  10.1021/acs.chemmater.1c00075
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K21076, KAKENHI-PROJECT-20H00302, KAKENHI-PROJECT-19H02416
[Journal Article] Point defects in p-type transparent conductive CuMO2 (M = Al, Ga, In) from first principles2021
- Author(s)
  Gake Tomoya、Kumagai Yu、Takahashi Akira、Oba Fumiyasu
- Journal Title
  
  Physical Review Materials
  
  Volume: 5 Issue: 10 Pages: 104602-104602
- DOI
  10.1103/physrevmaterials.5.104602
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H00302, KAKENHI-PROJECT-19H02416, KAKENHI-PROJECT-20J23137
[Journal Article] Data-Mining Element Charges in Inorganic Materials2020
- Author(s)
  Ding Yu、Kumagai Yu、Oba Fumiyasu、Burton Lee A.
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 11 Issue: 19 Pages: 8264-8267
- DOI
  10.1021/acs.jpclett.0c02072
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K21076, KAKENHI-PROJECT-19H02416
[Journal Article] Optical enhancement of dielectric permittivity in reduced lanthanum aluminate2020
- Author(s)
  Nagai Takayuki、Kuwabara Akihide、Kumagai Yu、Terasaki Ichiro、Taniguchi Hiroki
- Journal Title
  
  Physical Review B
  
  Volume: 101 Issue: 18 Pages: 184114-184114
- DOI
  10.1103/physrevb.101.184114
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K21076, KAKENHI-PROJECT-20K15363, KAKENHI-PROJECT-19H02416, KAKENHI-PROJECT-18K18855, KAKENHI-PROJECT-19K23507
[Journal Article] Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi)2020
- Author(s)
  Mochizuki Yasuhide、Sung Ha-Jun、Takahashi Akira、Kumagai Yu、Oba Fumiyasu
- Journal Title
  
  Physical Review Materials
  
  Volume: 4 Issue: 4 Pages: 044601-044601
- DOI
  10.1103/physrevmaterials.4.044601
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H01318, KAKENHI-PROJECT-18J21747, KAKENHI-PROJECT-20K21076, KAKENHI-PROJECT-19H02416
[Journal Article] Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations2020
- Author(s)
  Takahashi Akira、Kumagai Yu、Miyamoto Jun、Mochizuki Yasuhide、Oba Fumiyasu
- Journal Title
  
  Physical Review Materials
  
  Volume: 4 Issue: 10 Pages: 103801-103801
- DOI
  10.1103/physrevmaterials.4.103801
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K21076, KAKENHI-PROJECT-20H00302, KAKENHI-PROJECT-19H02416, KAKENHI-PROJECT-18J21747, KAKENHI-PROJECT-19K15275
[Journal Article] Finite-size corrections for defect-involving vertical transitions in supercell calculations2020
- Author(s)
  Gake Tomoya、Kumagai Yu、Freysoldt Christoph、Oba Fumiyasu
- Journal Title
  
  Physical Review B
  
  Volume: 101 Issue: 2 Pages: 020102-020102
- DOI
  10.1103/physrevb.101.020102
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02416
[Journal Article] Spin-Glass Magnetic Properties of A-Site Columnar-Ordered Quadruple Perovskites Y2MnGa(Mn4?xGax)O12 with 0 ? x ? 32019
- Author(s)
  Liu Ran、Khalyavin Dmitry D.、Tsunoda Naoki、Kumagai Yu、Oba Fumiyasu、Katsuya Yoshio、Tanaka Masahiko、Yamaura Kazunari、Belik Alexei A.
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 58 Issue: 21 Pages: 14830-14841
- DOI
  10.1021/acs.inorgchem.9b02542
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02416
[Journal Article] Stabilization of small polarons in BaTiO3 by local distortions2019
- Author(s)
  Tsunoda Naoki、Kumagai Yu、Oba Fumiyasu
- Journal Title
  
  Physical Review Materials
  
  Volume: 3 Issue: 11 Pages: 114602-114602
- DOI
  10.1103/physrevmaterials.3.114602
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19H02416
[Journal Article] Achieving non-degenerate Zn3N2 thin films by near room temperature sputtering deposition2019
- Author(s)
  Wang Yong、Ohsawa Takeo、Kumagai Yu、Harada Kou、Oba Fumiyasu、Ohashi Naoki
- Journal Title
  
  Applied Physics Letters
  
  Volume: 115 Issue: 9 Pages: 092104-092104
- DOI
  10.1063/1.5101037
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19H02416
[Journal Article] Point Defects and p-Type Doping in ScN from First Principles2018
- Author(s)
  Kumagai Yu、Tsunoda Naoki、Oba Fumiyasu
- Journal Title
  
  Physical Review Applied
  
  Volume: 9 Issue: 3
- DOI
  10.1103/physrevapplied.9.034019
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H01318, KAKENHI-PROJECT-15H05541
[Journal Article] Carrier-Induced Band-Gap Variation and Point Defects in Zn3N2 from First Principles2017
- Author(s)
  Kumagai Yu、Harada Kou、Akamatsu Hirofumi、Matsuzaki Kosuke、Oba Fumiyasu
- Journal Title
  
  Physical Review Applied
  
  Volume: 8 Issue: 1
- DOI
  10.1103/physrevapplied.8.014015
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H01318, KAKENHI-PROJECT-15H05541
[Journal Article] Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation2017
- Author(s)
  Y. Hinuma, Y. Kumagai, I. Tanaka, and F. Oba
- Journal Title
  
  Physical Review B
  
  Volume: 95 Issue: 7 Pages: 075302-075302
- DOI
  10.1103/physrevb.95.075302
- NAID
  120006582584
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PLANNED-25106005
[Journal Article] Band structure diagram paths based on crystallography2017
- Author(s)
  Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, and I. Tanaka
- Journal Title
  
  Computational Materials Science
  
  Volume: 128 Pages: 140-184
- DOI
  10.1016/j.commatsci.2016.10.015
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PLANNED-25106005
[Journal Article] Unusual magnetic structure of the high-pressure synthesized perovskites ACrO3 (A=Sc , In, Tl)2017
- Author(s)
  Lei Ding, Pascal Manuel, Dmitry D Khalyavin, Fabio Orlandi, Yu Kumagai, Fumiyasu Oba, Wei Yi, Alexei A Belik
- Journal Title
  
  Physical Review B
  
  Volume: 95 Issue: 5
- DOI
  10.1103/physrevb.95.054432
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Journal Article] DFT investigation into the underperformance of sulfide materials in photovoltaic applications2017
- Author(s)
  L. A. Burton, Y. Kumagai, A. Walsh, and F. Oba
- Journal Title
  
  Journal of Materials Chemistry A
  
  Volume: 印刷中 Issue: 19 Pages: 9132-9140
- DOI
  10.1039/c7ta00673j
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-14F04792, KAKENHI-PROJECT-15H05541
[Journal Article] Functional electronic inversion layers at ferroelectric domain walls2017
- Author(s)
  J. A. Mundy, J. Schaab, Y. Kumagai, A. Cano, M. Stengel, I. P. Krug, D. M. Gottlob,H. Doganay, M. E. Holtz, R. Held, Z. Yan, E. Bourret, C. M. Schneider, D. G. Schlom, D. A. Muller, R. Ramesh, N. A. Spaldin, D. Meier
- Journal Title
  
  Nature Materials
  
  Volume: ADVANCE ONLINE PUBLICATION Issue: 6 Pages: 1-7
- DOI
  10.1038/nmat4878
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Journal Article] Electronic structure and defect physics of tin sulfides: SnS, Sn2S3, and SnS22016
- Author(s)
  Y. Kumagai, L. A. Burton, A. Walsh, and F. Oba
- Journal Title
  
  Physical Review Applied
  
  Volume: 6 Issue: 1
- DOI
  10.1103/physrevapplied.6.014009
- NAID
  120006582529
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PROJECT-14F04792
[Journal Article] Ligancy-Driven Controlling of Covalency and Metallicity in a Ruthenium Two-Dimensional System2016
- Author(s)
  Satoshi Toyoda, Katsutoshi Fukuda, Koji Horiba, Masaharu Oshima, Kazuhiro Kumagai, Yu Kumagai, Fumiyasu Oba, Yoshiharu Uchimoto, Eiichiro Matsubara
- Journal Title
  
  Chemistry of Materials
  
  Volume: 28 Issue: 16 Pages: 5784-5790
- DOI
  10.1021/acs.chemmater.6b02019
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15H05541
[Journal Article] Electronic Structure and Defect Chemistry of Tin(II) Complex Oxide SnNb2O62016
- Author(s)
  S. Katayama, H. Hayashi, Y. Kumagai, F. Oba and I. Tanaka
- Journal Title
  
  Journal of Physical Chemistry C
  
  Volume: 120-18 Issue: 18 Pages: 9604-9611
- DOI
  10.1021/acs.jpcc.6b01696
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541
[Journal Article] Categorization of surface polarity from a crystallographic approach2016
- Author(s)
  Yoyo Hinuma, Yu Kumagai, Fumiyasu Oba, and Isao Tanaka
- Journal Title
  
  Comput. Mater. Sci.
  
  Volume: 113 Pages: 221-230
- DOI
  10.1016/j.commatsci.2015.11.042
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PLANNED-25106005
[Journal Article] Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites2016
- Author(s)
  Keith T. Butler, Yu Kumagai, Fumiyasu Oba, and Aron Walsh
- Journal Title
  
  J. Mater. Chem. C
  
  Volume: 4 Issue: 6 Pages: 1149-1158
- DOI
  10.1039/c5tc04091d
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PROJECT-26630316
[Journal Article] Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis2016
- Author(s)
  H. Hinuma, T. Hatakeama, Y. Kumagai, LA. Burton, H. Sato, Y. Muraba, S. Iimura, H. HIramatsu, I. Tanaka and H. Hosono
- Journal Title
  
  Nature Communications
  
  Volume: 7 Issue: 1 Pages: 11962-11962
- DOI
  10.1038/ncomms11962
- NAID
  120005770761
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-25106005, KAKENHI-PLANNED-25106007, KAKENHI-PROJECT-15H04125, KAKENHI-PROJECT-15H05541, KAKENHI-PROJECT-14F04792
[Journal Article] LiNbO3-Type Oxide (Tl1-xScx)ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties2016
- Author(s)
  Alexei A Belik, Wei Yi, Yu Kumagai, Yoshio Katsuya, Masahiko Tanaka, Fumiyasu Oba
- Journal Title
  
  Inorganic chemistry
  
  Volume: 55 Issue: 4 Pages: 1940-1945
- DOI
  10.1021/acs.inorgchem.5b02915
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] 非金属物質中の点欠陥を対象とした理論計算の進展2023
- Author(s)
  熊谷悠
- Organizer
  PCoMSシンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 酸化物に関する計算材料データベース構築2022
- Author(s)
  熊谷悠
- Organizer
  日本セラミックス協会第35回秋季シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 酸化物を対象とした計算材料データベースの構築2022
- Author(s)
  熊谷悠
- Organizer
  透明酸化物光・電子材料研究会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 計算科学を使った物性予測はどれほど進歩しているのか2022
- Author(s)
  熊谷悠
- Organizer
  学振69委員会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 第一原理計算の材料科学への応用2022
- Author(s)
  熊谷悠
- Organizer
  東京大学マテリアルズ・インフォマティクスの基礎と応用
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 点欠陥特性に関する計算材料データベース構築2022
- Author(s)
  熊谷悠
- Organizer
  電気化学界面シミュレーション第2回研究会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 酸素空孔に関する系統的計算と機械学習2022
- Author(s)
  熊谷悠
- Organizer
  日本化学会第102春季年会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 酸素空孔に関する系統的計算と機械学習2022
- Author(s)
  熊谷悠
- Organizer
  日本化学会第102春季年会
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] Automation of First-Principles Point Defect Calculations for Non-Metallic Materials2021
- Author(s)
  Yu Kumagai, Akira Takahashi, Fumiyasu Oba
- Organizer
  MRM2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 非金属物質中の点欠陥を対象とした系統的第一原理計算2021
- Author(s)
  熊谷悠
- Organizer
  第1回計算イオニクス研究会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 計算材料データベースの開発2021
- Author(s)
  熊谷悠
- Organizer
  第88回マテリアルズ・テーラリング研究会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 理論計算・データ科学による機能性セラミックス材料開発の革新2021
- Author(s)
  熊谷悠
- Organizer
  金属材料研究所ワークショップ・セラミックス材料をめぐる最近の研究動向
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 計算材料データベース構築とその応用2021
- Author(s)
  熊谷悠
- Organizer
  日本セラミックス協会2021年年会
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] 非金属物質中の点欠陥を対象とした系統的第一原理計算2021
- Author(s)
  熊谷悠
- Organizer
  第1回計算イオニクス研究会
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] 計算材料データベースの開発2021
- Author(s)
  熊谷悠
- Organizer
  第88回マテリアルズ・テーラリング研究会
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] 計算材料データベース構築とその応用2021
- Author(s)
  熊谷悠
- Organizer
  日本セラミックス協会2021年年会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] Automation of First-Principles Point Defect Calculations for Non-Metallic Materials2021
- Author(s)
  Yu Kumagai, Akira Takahashi, Fumiyasu Oba
- Organizer
  MRM2021
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] 酸化物に関する計算材料データベース構築2021
- Author(s)
  熊谷悠
- Organizer
  2020年度第5回物性アプリオープンフォーラム
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 計算材料データベースの構築に関して2021
- Author(s)
  熊谷悠
- Organizer
  第６回アドバンス・シミュレーション・セミナー2021
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] 理論計算・データ科学による機能性セラミックス材料開発の革新2021
- Author(s)
  熊谷悠
- Organizer
  金属材料研究所ワークショップ・セラミックス材料をめぐる最近の研究動向
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] 酸化物に関する計算材料データベース構築2021
- Author(s)
  熊谷悠
- Organizer
  2020年度第5回物性アプリオープンフォーラム
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] 計算材料データベースの構築に関して2021
- Author(s)
  熊谷悠
- Organizer
  第６回アドバンス・シミュレーション・セミナー2021
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 酸化物物性と酸素空孔に関する系統的計算2020
- Author(s)
  熊谷悠
- Organizer
  第30回日本MRS年次大会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 酸化物物性と酸素空孔に関する系統的計算2020
- Author(s)
  熊谷悠
- Organizer
  第30回日本MRS年次大会
- Invited
- Data Source
  KAKENHI-PROJECT-20K21076
[Presentation] High-Throughput Calculations and Machine-Learning Prediction of Oxygen Vacancy Formation Energies2019
- Author(s)
  Yu Kumagai
- Organizer
  Materials Research Meeting 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 半導体材料探索に向けた計算データベースの開発：酸化物を例として2019
- Author(s)
  熊谷悠
- Organizer
  応用物理学会シリコンテクノロジー分科会モデリング研究委員会研究集会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] High-throughput computations on oxygen vacancies and their machine learning2019
- Author(s)
  Yu Kumagai
- Organizer
  The 3rd Innovation Camp for Computational Materials Science
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] 第一原理計算による半導体物性の計算手法開発2019
- Author(s)
  熊谷悠
- Organizer
  2019年理研シンポジウム: 計算で物事を理解する予測する～データサイエンス、自然知能、そして圏論へ
- Invited
- Data Source
  KAKENHI-PROJECT-19H02416
[Presentation] Computational materials database toward discovering novel semiconductors2018
- Author(s)
  Yu Kumagai
- Organizer
  第32回コンピュテーショナル・マテリアルズ・デザインワークショップ
- Invited
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] 半導体材料開発のための計算材料データベース2018
- Author(s)
  熊谷悠
- Organizer
  日本物理学会第73回年次大会
- Invited
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Computational materials database toward discovering novel semiconductors2017
- Author(s)
  Yu Kumagai
- Organizer
  Interdisciplinary symposium on modern density functional theory -- iDFT
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] First-principles calculations on point defects in semiconductors2017
- Author(s)
  Yu Kumagai
- Organizer
  Frontiers in Materials Science 2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] First-principles calculations on point defects in semiconductors and insulators2017
- Author(s)
  Yu Kumagai
- Organizer
  The 20th Asian Workshop on First-Principles Electronic Structure Calculations
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] 半導体材料開発のための第一原理計算2017
- Author(s)
  熊谷悠
- Organizer
  ポスト新機能物質開発のための戦略会議
- Invited
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] 半導体材料探索に向けた計算データベースの開発2017
- Author(s)
  熊谷悠
- Organizer
  新機能デバイス・高性能材料のための産官学連携フォーラム第３回会合
- Invited
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Ab Initio Study of Point Defects in Tin Sulfides2016
- Author(s)
  Yu Kumagai, Lee A. Burton, Aron Walsh and Fumiyasu Oba
- Organizer
  AMTC5
- Place of Presentation
  愛知県
- Year and Date
  2016-05-11
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] 硫化スズ中の点欠陥に関する第一原理計算2016
- Author(s)
  熊谷悠，Lee Burton，Aron Walsh，大場史康
- Organizer
  日本金属学会 2016年秋期講演大会
- Place of Presentation
  大阪府
- Year and Date
  2016-09-21
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] First-principles investigation of point defects in non-metallic materials2016
- Author(s)
  熊谷　悠
- Organizer
  第26回日本MRS年次大会
- Place of Presentation
  神奈川県
- Year and Date
  2016-12-19
- Invited
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] 第一原理に基づく点欠陥計算の高精度化とその応用2015
- Author(s)
  熊谷悠
- Organizer
  日本金属学会 2015年秋期(第157回)講演大会
- Place of Presentation
  九州大学伊都キャンパス (福岡市)
- Year and Date
  2015-09-16
- Invited
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Electrostatics-based finite-size corrections for point defects in semiconductors2015
- Author(s)
  Yu Kumagai and Fumiyasu Oba
- Organizer
  PSI-K 2015 CONFERENCE
- Place of Presentation
  スペイン国　サンセバスチャン
- Year and Date
  2015-09-06
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Accurate Predictions of Point Defect Energetics in Semiconductors from First Principles2015
- Author(s)
  Yu Kumagai and Fumiyasu Oba
- Organizer
  第２５回　日本MRS年次大会
- Place of Presentation
  神奈川
- Year and Date
  2015-12-08
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Theory of ionization potentials of solids2015
- Author(s)
  Yu Kumagai, Keith T. Butler, Aron Walsh and Fumiyasu Oba
- Organizer
  STAC-9 & TOEO-9
- Place of Presentation
  茨城
- Year and Date
  2015-10-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Electrostatics-based finite-size corrections for point defects in semiconductors and insulators2015
- Author(s)
  Yu Kumagai and Fumiyasu Oba
- Organizer
  Nothing is Perfect: The Quantum Mechanics of Defects
- Place of Presentation
  スイス国 Ascona
- Year and Date
  2015-04-26
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Theory of ionization potentials of solids2015
- Author(s)
  Yu Kumagai, Keith T. Butler, Aron Walsh and Fumiyasu Oba
- Organizer
  2nd International Symposium on Frontiers in Materials Science
- Place of Presentation
  東京
- Year and Date
  2015-10-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541
[Presentation] Predictions of point defect properties in semiconductors2015
- Author(s)
  Yu Kumagai
- Organizer
  11th International Conference of Pacific Rim Ceramic Societies(PacRim-11)
- Place of Presentation
  韓国　チェジュ島
- Year and Date
  2015-09-06
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H05541

1. OBA Fumiyasu

# of Collaborated Projects: 1 results

# of Collaborated Products: 23 results
2. TSUNODA Naoki

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. HINUMA YOYO

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
4. 赤松寛文

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
5. 田中功

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
6. 林博之

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
7. BURTON Lee

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
8. 高橋亮

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Kumagai Yu 熊谷 悠

Research Projects

Research Products

Co-Researchers

ユニバーサルな点欠陥形成エネルギーの高精度予測と材料探索への応用Principal Investigator

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Investigation of oxygen vacancies on oxide surfacesPrincipal Investigator

Principal Investigator

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Understanding and prediction of band-edge energies via machine learningPrincipal Investigator

Principal Investigator

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Systematic understanding of oxygen vacancies and prediction by machine learningPrincipal Investigator

Principal Investigator

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Development of computational techniques for discovering novel semiconductors from first principlesPrincipal Investigator

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[Journal Article] Computational materials database for oxides2023

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Journal Title

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[Journal Article] Computational Screening of p-Type Transparent Conducting Oxides Using the Optical Absorption Spectra and Oxygen-Vacancy Formation Energies2023

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[Journal Article] Recommendation of interstitial hydrogen positions in metal oxides2022

Author(s)

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[Journal Article] Insights into oxygen vacancies from high-throughput first-principles calculations2021

Author(s)

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[Journal Article] Theoretical Prediction and Thin-Film Growth of the Defect-Tolerant Nitride Semiconductor YZn<sub>3</sub>N<sub>3</sub>2021

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[Journal Article] SrZn2N2 as a Solar Absorber: Theoretical Defect Chemistry and Synthesis by Metal Alloy Nitridation2021

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[Journal Article] Point defects in p-type transparent conductive CuMO2 (M = Al, Ga, In) from first principles2021

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[Journal Article] Data-Mining Element Charges in Inorganic Materials2020

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[Journal Article] Optical enhancement of dielectric permittivity in reduced lanthanum aluminate2020

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Kumagai Yu 熊谷悠