Kumagai Yu 熊谷悠

Researcher Number	00722464
Other IDs	https://orcid.org/0000-0003-0489-8148
Affiliation (Current)	2026: 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 Except Principal Investigator Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related
Keywords	Principal Investigator 機械学習 / 点欠陥 / 第一原理計算 / 表面 / ハイスループット計算 / 酸素空孔 / 計算材料データベース / 表面空孔 / ２次元物質 / バンド端 … More / バンド端位置 / マテリアルズインフォマティクス / 酸化物 / 格子欠陥 / 計算材料学 / 半導体材料 / 半導体 … More Except Principal Investigator 欠陥 / 太陽電池材料 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
Defect Control in Solar Cell Materials via Impurity Doping
- Principal Investigator
  
  松崎功佑
- Project Period (FY)
  2025 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Investigation of Oxygen Vacancy Properties on Oxide SurfacesPrincipal Investigator
- Principal Investigator
  
  Kumagai Yu
- Project Period (FY)
  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 2025 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015

All Journal Article Presentation

[Journal Article] Corrections on formation energies and eigenvalues of point defect calculations in two-dimensional materials2024
- Author(s)
  Kumagai Yu
- Journal Title
  
  Physical Review B
  
  Volume: 109 Issue: 5 Pages: 054106-054106
- DOI
  10.1103/physrevb.109.054106
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K23023
[Journal Article] Native defects and p-type dopability in transparent beta-TeO2: A first-principles study2024
- Author(s)
  Huyen Vu Thi Ngoc、Bae Soungmin、Costa-Amaral Rafael、Kumagai Yu
- Journal Title
  
  Physical Review Applied
  
  Volume: 22 Issue: 4 Pages: 044065-044065
- DOI
  10.1103/physrevapplied.22.044065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23023, KAKENHI-PROJECT-23KF0030
[Journal Article] Exploring Intrinsic and Extrinsic p-Type Dopability of Atomically Thin β-TeO2 from First Principles2024
- Author(s)
  Costa-Amaral Rafael、Bae Soungmin、Vu Thi Ngoc Huyen、Kumagai Yu
- Journal Title
  
  ACS Applied Materials & Interfaces
  
  Volume: 17 Issue: 1 Pages: 1605-1614
- DOI
  10.1021/acsami.4c17868
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K23023, KAKENHI-PROJECT-23KF0030
[Journal Article] Universal Polaronic Behavior in Elemental Doping of MoS2 from First-Principles2024
- Author(s)
  Bae Soungmin、Miyamoto Ibuki、Kiyohara Shin、Kumagai Yu
- Journal Title
  
  ACS Nano
  
  Volume: 18 Issue: 50 Pages: 33988-33997
- DOI
  10.1021/acsnano.4c08366
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K23023, KAKENHI-PROJECT-23KF0030
[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] 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] Alkali Mono-Pnictides: A New Class of Photovoltaic Materials by Element Mutation2023
- Author(s)
  Kumagai Yu、Kavanagh Sean R.、Suzuki Issei、Omata Takahisa、Walsh Aron、Scanlon David O.、Morito Haruhiko
- Journal Title
  
  PRX Energy
  
  Volume: 2 Issue: 4 Pages: 043002-043002
- DOI
  10.1103/prxenergy.2.043002
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23023
[Journal Article] Finite-size corrections to defect energetics along one-dimensional configuration coordinate2023
- Author(s)
  Kumagai Yu
- Journal Title
  
  Physical Review B
  
  Volume: 107 Issue: 22
- DOI
  10.1103/physrevb.107.l220101
- 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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 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] 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] 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] 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] 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] 第一原理計算とMIによる欠陥を考慮した新材料探索2025
- Author(s)
  熊谷悠
- Organizer
  スーパーコンピュータワークショップ2024
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] Defects in Semiconductors: A First-Principles Investigation2024
- Author(s)
  Yu Kumagai
- Organizer
  SMS2024
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 大学研究者によるMI研究事例の紹介2024
- Author(s)
  熊谷悠
- Organizer
  第3回新材料・新機能創生研究会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] High-accuracy calculation of point defects inside non-metallic materials and its applications2024
- Author(s)
  Yu Kumagai
- Organizer
  ECAPD 2024
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] High-throughput calculations on oxygen vacancies and their applications2024
- Author(s)
  Yu Kumagai
- Organizer
  ICC'10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 欠陥形成エネルギーの高精度計算と機械学習による予測2024
- Author(s)
  熊谷悠
- Organizer
  日本セラミックス協会第37回秋季シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 非金属物質内部の点欠陥の高精度計算とその応用2024
- Author(s)
  熊谷悠
- Organizer
  日本金属学会 2024年春期大会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 点欠陥特性を考慮した半導体材料スクリーニング2024
- Author(s)
  熊谷悠
- Organizer
  日本金属学会第2分野主催「情報・デバイス」と「材料」研究会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] 非金属物質中の点欠陥に関する第一原理計算2024
- Author(s)
  熊谷悠
- Organizer
  物質科学シミュレーションと先端実験のデータ連携
- Invited
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] Insights on Point Defect Energetics in Non-Metallic Solids under Periodic Boundary Conditions2024
- Author(s)
  Yu Kumagai
- Organizer
  2024 Defects in Semiconductors Conference GRC
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] Accurate Calculations for Point Defects in Non-Metallic Materials and Their Applications2024
- Author(s)
  Yu Kumagai
- Organizer
  ENGE2024
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23023
[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] Alkali mono-pnictides: a new class of photovoltaic materials by element mutation2023
- Author(s)
  Yu Kumagai
- Organizer
  Summit of Materials Science
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] エレメントミューテーションによる新規太陽電池材料の提案2023
- Author(s)
  熊谷悠
- Organizer
  E-IMR Summer Meeting
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] エレメントミューテーションによる新規太陽電池材料の提案2023
- Author(s)
  熊谷悠
- Organizer
  計算科学と情報学を用いた材料開発の新展開
- Data Source
  KAKENHI-PROJECT-23K23023
[Presentation] Construction of a Computational Materials Database for Oxides2023
- Author(s)
  Yu Kumagai
- Organizer
  2023 Japan-America Frontiers of Engineering Symposium
- Invited / Int'l Joint Research
- 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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 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] 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] 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] 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] 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] 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] 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] 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] 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] 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. 松崎功佑 (40571500)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. 清原慎 (20971881)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 反保衆志 (20392631)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. OBA Fumiyasu

# of Collaborated Projects: 1 results

# of Collaborated Products: 23 results
5. TSUNODA Naoki

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. HINUMA YOYO

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
7. BURTON Lee

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
8. 田中功

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
9. 赤松寛文

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
10. 高橋亮

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
11. 林博之

# 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

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Defect Control in Solar Cell Materials via Impurity Doping

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Investigation of Oxygen Vacancy Properties on Oxide SurfacesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

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

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Systematic understanding of oxygen vacancies and prediction by machine learningPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

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

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Corrections on formation energies and eigenvalues of point defect calculations in two-dimensional materials2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Native defects and p-type dopability in transparent beta-TeO2: A first-principles study2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Exploring Intrinsic and Extrinsic p-Type Dopability of Atomically Thin β-TeO2 from First Principles2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Universal Polaronic Behavior in Elemental Doping of MoS2 from First-Principles2024

Author(s)

Journal Title

DOI

Data Source

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

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Computational materials database for oxides2023

Author(s)

Journal Title

DOI

ISSN

Year and Date

Language

Data Source

[Journal Article] Alkali Mono-Pnictides: A New Class of Photovoltaic Materials by Element Mutation2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Finite-size corrections to defect energetics along one-dimensional configuration coordinate2023

Author(s)

Kumagai Yu 熊谷悠