@book{CTT100760871,
  author = {大場史康},
  title = {マテリアルズ・インフォマティクス ～データ科学と計算・実験の融合による材料開発～（2.3節、5.1節分担執筆）},
  publisher = {情報機構},
  year = 2018,
}

@book{CTT100760873,
  author = {田中功 and 松永克志 and 大場史康 and 世古敦人},
  title = {材料電子論入門 ― 第一原理計算の材料科学への応用},
  publisher = {内田老鶴圃},
  year = 2017,
}

@article{CTT100910928,
  author = {Shin Kiyohara and Yoyo Hinuma and Fumiyasu Oba},
  title = {Band alignment of oxides by learnable structural-descriptor-aided neural network and transfer learning},
  journal = {Journal of the American Chemical Society},
  year = 2024,
}

@article{CTT100716001,
  author = {Yoyo Hinuma and Taisuke Hatakeyama and Yu Kumagai and Lee A. Burton and Hikaru Sato and Yoshinori Muraba and Soshi Iimura and Hidenori Hiramatsu and Isao Tanaka and Hideo Hosono and Fumiyasu Oba},
  title = {Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis},
  journal = {Nature Communications},
  year = 2016,
}

@article{CTT100741493,
  author = {A. Gruneis and G. Kresse and Y. Hinuma and F. Oba},
  title = {Ionization potentials of solids: The importance of vertex corrections},
  journal = {Physical Review Letters},
  year = 2014,
}

@article{CTT100928014,
  author = {Kosuke Matsuzaki and Chen-Wei Chang and Teruya Nagafuji and Naoki Tsunoda and Yu Kumagai and Kenji Nomura and Fumiyasu Oba and Hideo Hosono},
  title = {Size-Dependent Isovalent Impurity Doping for Ambipolar Control in Cu3N},
  journal = {J. Am. Chem. Soc.},
  year = 2024,
}

@article{CTT100926820,
  author = {Nobuya Sato and Akira Takahashi and Shin Kiyohara and Kei Terayama and Ryo Tamura and Fumiyasu Oba},
  title = {Target Material Property‐Dependent Cluster Analysis of Inorganic Compounds},
  journal = {Advanced Intelligent Systems},
  year = 2024,
}

@article{CTT100926669,
  author = {Teruya Nagafuji and Koshiro Osuna and Kota Hanzawa and Tomoya Gake and Sougmin Bae and Zhongxu Hu and Takayoshi Katase and Akira Takahashi and Hidenori Hiramatsu and Fumiyasu Oba},
  title = {Carrier generation and compensation mechanism in La2SnO2S3},
  journal = {J. Mater. Chem. C},
  year = 2024,
}

@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{CTT100902909,
  author = {Fumiyasu Oba},
  title = {Computational design and exploration of nitride and oxide semiconductors},
  journal = {Journal of the Ceramic Society of Japan},
  year = 2023,
}

@article{CTT100902908,
  author = {Tianwei Wang and Fumiyasu Oba},
  title = {Slab surface passivation and its application to band offset calculations for polar heterointerfaces of zinc-blende semiconductors},
  journal = {Physical Review Materials},
  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{CTT100895953,
  author = {Takafumi Yamamoto and Shogo Kawaguchi and Taiki Kosuge and Akira Sugai and Naoki Tsunoda and Yu Kumagai and Kosuke Beppu and Takuya Ohmi and Teppei Nagase and Kotaro Higashi and Kazuo Kato and Kiyofumi Nitta and Tomoya Uruga and Seiji Yamazoe and Fumiyasu Oba and Tsunehiro Tanaka and Masaki Azuma and Saburo Hosokawa},
  title = {Emergence of Dynamically‐Disordered Phases During Fast Oxygen Deintercalation Reaction of Layered Perovskite},
  journal = {Advanced Science},
  year = 2023,
}

@article{CTT100886978,
  author = {Yasuhide Mochizuki and Ha-Jun Sung and Tomoya Gake and Fumiyasu Oba},
  title = {Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles},
  journal = {Chemistry of Materials},
  year = 2023,
}

@article{CTT100886714,
  author = {R. Ishikawa and N. Shibata and F. Oba and T. Taniguchi and Y. Ikuhara},
  title = {Single-atom microscopy in wide-bandgap nitrides},
  journal = {International Journal of Applied Ceramic Technology},
  year = 2023,
}

@article{CTT100886706,
  author = {S. Kiyohara and D. Mora-Fonz and A. Shluger and Y. Kumagai and F. Oba},
  title = {Unique atomic and electronic structures of oxygen vacancies in amorphous SnO2 from first principles and informatics},
  journal = {Journal of Physical Chemistry C},
  year = 2022,
}

@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{CTT100886699,
  author = {K. Matsuzaki and N. Tsunoda and Y. Kumagai and Y. Tang and K. Nomura and F. Oba and HIDEO HOSONO},
  title = {Hole-doping to a Cu(I)-based semiconductor with an isovalent cation: Utilizing a complex defect as a shallow acceptor},
  journal = {Journal of the American Chemical Society},
  year = 2022,
}

@article{CTT100886697,
  author = {Y. Wang and S. Bruyère and Y. Kumagai and N. Tsunoda and F. Oba and J. Ghanbaja and H. Sun and B. Daib and J. F. Pierson},
  title = {Tuning the optical band gap and electrical properties of NiO thin films by nitrogen doping: a joint experimental and theoretical study},
  journal = {RSC Advances},
  year = 2022,
}

@article{CTT100886701,
  author = {K. Morita and Y. Kumagai and F. Oba and A. Walsh},
  title = {Switchable electric dipole from polaron localization in dielectric crystals},
  journal = {Physical Review Letters},
  year = 2022,
}

@article{CTT100869298,
  author = {Akitoshi Nakano and Hirokazu Shirakuni and Takayuki Nagai and Yasuhide Mochizuki and Fumiyasu Oba and Hiroko Yokota and Shogo Kawaguchi and Ichiro Terasaki and Hiroki Taniguchi},
  title = {Phase variation of ferroelectric  Li2 Sr1−x Cax (Nb1−xTax)2O7  by selective reinforcement in the (Nb,Ta)-O covalent bonds},
  journal = {Physical Review Materials},
  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{CTT100865899,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {Recommendation of interstitial hydrogen positions in metal oxides},
  journal = {Computational Materials Science},
  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{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{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,
}

@article{CTT100842141,
  author = {Y. Kuroiwa and Y. Matsushita and F. Oba},
  title = {Unraveling crystal symmetry and strain effects on electronic band structures of SiC polytypes},
  journal = {AIP Advances},
  year = 2020,
}

@article{CTT100842140,
  author = {T. Murata and H. Akamatsu and D. Hirai and F. Oba and S. Hirose},
  title = {Antiferroelectricity and robust dielectric response owing to competing polar and antipolar instabilities in tetragonal tungsten bronze K2RNb5O15 (R: rare-earth)},
  journal = {Physical Review Materials},
  year = 2020,
}

@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{CTT100841647,
  author = {Yu Ding and Yu Kumagai and Fumiyasu Oba and Lee A. Burton},
  title = {Data-Mining Element Charges in Inorganic Materials},
  journal = {The Journal of Physical Chemistry Letters},
  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{CTT100822452,
  author = {Ha-Jun Sung and Yasuhide Mochizuki and Fumiyasu Oba},
  title = {Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites},
  journal = {Physical Review Materials},
  year = 2020,
}

@article{CTT100822249,
  author = {Christian A.  Niedermeier and Yu Kumagai and Keisuke Ide and Takayoshi Katase and Fumiyasu Oba and Hideo Hosono and Toshio Kamiya},
  title = {Phonon scattering limited mobility in the representative cubic perovskite semiconductors SrGeO3, BaSnO3, and SrTiO3},
  journal = {Phys. Rev. B},
  year = 2020,
}

@article{CTT100819945,
  author = {T. Gake and Y. Kumagai and C. Freysoldt and F. Oba},
  title = {Finite-size corrections for defect-involving vertical transitions in supercell calculations},
  journal = {Physical Review B},
  year = 2020,
}

@article{CTT100816332,
  author = {Takayuki Nagai and Yasuhide Mochizuki and Hirokazu Shirakuni and Akitoshi Nakano and Fumiyasu Oba and Ichiro Terasaki and Hiroki Taniguchi},
  title = {Phase Transition from Weak Ferroelectricity to Incipient Ferroelectricity in Li2Sr(Nb1-xTax)2O7},
  journal = {Chemistry of Materials},
  year = 2020,
}

@article{CTT100809989,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {Stabilization of small polarons in BaTiO3 by local distortions},
  journal = {Physical Review Materials},
  year = 2019,
}

@article{CTT100819946,
  author = {R. Liu and D. D. Khalyavin and N. Tsunoda and Y. Kumagai and F. Oba and Y. Katsuya and M. Tanaka and K. Yamaura and A. A. Belik},
  title = {Spin-glass magnetic properties of A-site columnar-ordered quadruple perovskites Y2MnGa(Mn4–xGax)O12 with 0 ≤ x ≤ 3"},
  journal = {Inorganic Chemistry},
  year = 2019,
}

@article{CTT100808941,
  author = {T. Kobayashi and T. Gake and Y. Kumagai and F. Oba and Y. Matsushita},
  title = {Energetics and electronic structure of native point defects in α-Ga2O3},
  journal = {Applied Physics Express},
  year = 2019,
}

@article{CTT100808945,
  author = {Y. Hinuma and T. Gake and F. Oba},
  title = {Band alignment at surfaces and heterointerfaces of Al2O3, Ga2O3, In2O3, and related group-III oxide polymorphs: A first-principles study},
  journal = {Physical Review Materials},
  year = 2019,
}

@article{CTT100808935,
  author = {Y. Kuroiwa and Y. Matsushita and K. Harada and F. Oba},
  title = {Theoretical prediction of strain-induced carrier effective mass modulation in 4H-SiC and GaN},
  journal = {Applied Physics Letters},
  year = 2019,
}

@article{CTT100808943,
  author = {Y. Wang and T. Ohsawa and Y. Kumagai and K. Harada and F. Oba and N. Ohashi},
  title = {Achieving non-degenerate Zn3N2 thin films by near room temperature sputtering deposition},
  journal = {Applied Physics Letters},
  year = 2019,
}

@article{CTT100808934,
  author = {T. Gake and Y. Kumagai and F. Oba},
  title = {First-principles study of self-trapped holes and acceptor impurities in Ga2O3 polymorphs},
  journal = {Physical Review Materials},
  year = 2019,
}

@article{CTT100808944,
  author = {K. Shimokawa and T. Atsumi and M. Harada and R. E. Ward and M. Nakayama and Y. Kumagai and F. Oba and N. L. Okamoto and K. Kanamura and T. Ichitsubo},
  title = {Zinc-based spinel cathode materials for magnesium rechargeable batteries: Toward the reversible spinel-rocksalt transition},
  journal = {Journal of Materials Chemistry A},
  year = 2019,
}

@article{CTT100808936,
  author = {T. Kobayashi and K. Harada and Y. Kumagai and F. Oba and Y. Matsushita},
  title = {Native point defects and carbon clusters in 4H-SiC: A hybrid functional study},
  journal = {Journal of Applied Physics},
  year = 2019,
}

@article{CTT100792589,
  author = {N. Tsunoda and Y. Kumagai and M. Araki and F. Oba},
  title = {One-dimensionally extended oxygen vacancy states in perovskite oxides},
  journal = {Physical Review B},
  year = 2019,
}

@article{CTT100792728,
  author = {Keisuke Shimizu and Ryo Kawabe and Hajime Hojo and Haruki Shimizu and Hajime Yamamoto and Marin Katsumata and Kei Shigematsu and Ko Mibu and Yu Kumagai and Fumiyasu Oba and Masaki Azuma},
  title = {Direct Observation of Magnetization Reversal by Electric Field at Room Temperature in Co-Substituted Bismuth Ferrite Thin Film},
  journal = {NANO LETT.},
  year = 2019,
}

@article{CTT100792591,
  author = {Y. Hinuma and Y. Kumagai and I. Tanaka and F. Oba},
  title = {Effects of composition, crystal structure, and surface orientation on band alignment of divalent metal oxides: A first-principles study},
  journal = {Physical Review Materials},
  year = 2018,
}

@article{CTT100786074,
  author = {Yasuhide Mochizuki and Yu Kumagai and Hirofumi Akamatsu and Fumiyasu Oba},
  title = {Polar metallic behavior of strained antiperovskites ACNi3 (A = Mg, Zn, and Cd) from first principles},
  journal = {Physical Review Materials},
  year = 2018,
}

@article{CTT100786073,
  author = {Yasuhide Mochizuki and Hirofumi Akamatsu and Yu Kumagai and Fumiyasu Oba},
  title = {Strain-engineered Peierls instability in layered perovskite La3Ni2O7 from first principles},
  journal = {Physical Review Materials},
  year = 2018,
}

@article{CTT100775523,
  author = {Hongyi Li and Norihiko L. Okamoto and Takuya Hatakeyama and Yu Kumagai and Fumiyasu Oba and Tetsu Ichitsubo},
  title = {Fast Diffusion of Multivalent Ions Facilitated by Concerted Interactions in Dual-Ion Battery Systems},
  journal = {Advanced Energy Materials},
  year = 2018,
}

@article{CTT100775522,
  author = {Keigo Kamata and Kosei Sugahara and Yuuki Kato and Satoshi Muratsugu and Yu Kumagai and Fumiyasu Oba and Michikazu Hara},
  title = {Heterogeneously Catalyzed Aerobic Oxidation of Sulfides with a BaRuO3 Nanoperovskite},
  journal = {ACS Applied Materials and Interfaces},
  year = 2018,
}

@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{CTT100771318,
  author = {Kosuke Matsuzaki and Kou Harada and Yu Kumagai and Shogo Koshiya and Shigenori Ueda and Masato Sasase and Akihiro Maeda and Tomofumi Susaki and Masaaki Kitano and Fumiyasu Oba and Hideo Hosono},
  title = {High-Mobility p-Type and n-Type Copper Nitride Semiconductors by Direct Nitriding Synthesis and In Silico Doping Design},
  journal = {Adv. Mater.},
  year = 2018,
}

@article{CTT100775519,
  author = {Fumiyasu Oba and Yu Kumagai},
  title = {Design and exploration of semiconductors from first principles: A review of recent advances},
  journal = {Applied Physics Express},
  year = 2018,
}

@article{CTT100760876,
  author = {Y. Kumagai and N. Tsunoda and F. Oba},
  title = {Point defects and p-type doping in ScN from first principles},
  journal = {Phys. Rev. Applied},
  year = 2018,
}

@article{CTT100760282,
  author = {A. A. Belik and Y. Matsushita and Y. Kumagai and Y. Katsuya and M. Tanaka and S. Y. Stefanovich and B. I. Lazoryak and F. Oba and K. Yamaura},
  title = {Complex structural behavior of BiMn7O12 quadruple perovskite},
  journal = {Inorganic Chemistry},
  year = 2017,
}

@article{CTT100760280,
  author = {K. Fujita and T. Kawamoto and I. Yamada and O. Hernandez and H. Akamatsu and Y. Kumagai and F. Oba and P. Manuel and R. Fujikawa and S. Yoshida and M. Fukuda and K. Tanaka},
  title = {Perovskite-type InCoO3 with low-spin Co3+: Effect of In-O covalency on structural stabilization in comparison with rare-earth series},
  journal = {Inorganic Chemistry},
  year = 2017,
}

@article{CTT100751915,
  author = {Yoyo Hinuma and Hiroyuki Hayashi and Yu Kumagai and Isao Tanaka and Fumiyasu Oba},
  title = {Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides},
  journal = {Physical Review B},
  year = 2017,
}

@article{CTT100751916,
  author = {Yu Kumagai and Kou Harada and Hirofumi Akamatsu and Kosuke Matsuzaki and Fumiyasu Oba},
  title = {Carrier-induced band-gap variation and point defects in Zn3N2 from first principles},
  journal = {Physical Review Applied},
  year = 2017,
}

@article{CTT100742503,
  author = {J. M. Skelton and L. A. Burton and A. J. Jackson and F. Oba and S. C. Parkera and A. Walsh},
  title = {Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport},
  journal = {Physical Chemistry Chemical Physics},
  year = 2017,
}

@article{CTT100742497,
  author = {L. A. Burton and Y. Kumagai and A. Walsh and F. Oba},
  title = {DFT investigation into the underperformance of sulfide materials in photovoltaic applications},
  journal = {Journal of Materials Chemistry A},
  year = 2017,
}

@article{CTT100742496,
  author = {J. M. Skelton and L. A. Burton and F. Oba and A. Walsh},
  title = {Chemical and lattice stability of the tin sulfides},
  journal = {The Journal of Physical Chemistry C},
  year = 2017,
}

@article{CTT100737106,
  author = {Yu Kumagai and Keith T. Butler and Aron Walsh and Fumiyasu Oba},
  title = {Theory of ionization potentials of nonmetallic solids},
  journal = {Physical Review B},
  year = 2017,
}

@article{CTT100737268,
  author = {Jonathan M. Skelton and Lee A. Burton and Fumiyasu Oba and Aron Walsh},
  title = {Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor},
  journal = {APL Materials},
  year = 2017,
}

@article{CTT100737104,
  author = {Lei Ding and Pascal Manuel and Dmitry D. Khalyavin and Fabio Orlandi and Yu Kumagai and Fumiyasu Oba and Wei Yi and Alexei A. Belik},
  title = {Unusual magnetic structure of the high-pressure synthesized perovskites ACrO3 (A=Sc, In, Tl)},
  journal = {Physical Review B},
  year = 2017,
}

@article{CTT100737105,
  author = {Yoyo Hinuma and Yu Kumagai and Isao Tanaka and Fumiyasu Oba},
  title = {Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation},
  journal = {Physical Review B},
  year = 2017,
}

@article{CTT100737103,
  author = {Yoyo Hinuma and Giovanni Pizzi and Yu Kumagai and Fumiyasu Oba and Isao Tanaka},
  title = {Band structure diagram paths based on crystallography},
  journal = {Computational Materials Science},
  year = 2017,
}

@article{CTT100715971,
  author = {Hiroyuki Hayashi and Shota Katayama and Takahiro Komura and Yoyo Hinuma and Tomoyasu Yokoyama and Ko Mibu and Fumiyasu Oba and Isao Tanaka},
  title = {Discovery of a novel Sn(II)-based oxide β-SnMoO₄ for daylight-driven photocatalysis},
  journal = {Advanced Science},
  year = 2017,
}

@article{CTT100712599,
  author = {Yu Kumagai and Lee A. Burton and Aron Walsh and Fumiyasu Oba},
  title = {Electronic structure and defect physics of tin sulfides: SnS, Sn2S3, and SnS2},
  journal = {Physical Review Applied},
  year = 2016,
}

@article{CTT100712598,
  author = {Satoshi Toyoda and Katsutoshi Fukuda and Koji Horiba and Masaharu Oshima and Kazuhiro Kumagai and Yu Kumagai and Fumiyasu Oba and Yoshiharu Uchimoto and Eiichiro Matsubara},
  title = {Ligancy-driven controlling of covalency and metallicity in a ruthenium two-dimensional system},
  journal = {Chemistry of Materials},
  year = 2016,
}

@article{CTT100705408,
  author = {Shota Katayama and Hiroyuki Hayashi and Yu Kumagai and Fumiyasu Oba and Isao Tanaka},
  title = {Electronic structure and defect chemistry of Sn(II) complex oxide SnNb2O6},
  journal = {The Journal of Physical Chemistry C},
  year = 2016,
}

@article{CTT100702333,
  author = {Alexei A. Belik and Wei Yi and Yu Kumagai and Yoshio Katsuya and Masahiko Tanaka and Fumiyasu Oba},
  title = {LiNbO3-type oxide (Tl1–xScx)ScO3: High-pressure synthesis, crystal structure, and electronic properties},
  journal = {Inorganic Chemistry},
  year = 2016,
}

@article{CTT100702332,
  author = {Yoyo Hinuma and Yu Kumagai and Fumiyasu Oba and Isao Tanaka},
  title = {Categorization of surface polarity from a crystallographic approach},
  journal = {Computational Materials Science},
  year = 2016,
}

@article{CTT100702331,
  author = {Keith T. Butler and Yu Kumagai and Fumiyasu Oba and Aron Walsh},
  title = {Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites},
  journal = {Journal of Materials Chemistry C},
  year = 2016,
}

@article{CTT100702341,
  author = {Shinya Okamoto and Tetsu Ichitsubo and Tomoya Kawaguchi and Yu Kumagai and Fumiyasu Oba and Shunsuke Yagi and Kohei Shimokawa and Natsumi Goto and Takayuki Doi and Eiichiro Matsubara},
  title = {Intercalation and push-out process with spinel-to-rocksalt transition on mg insertion into spinel oxides in magnesium batteries},
  journal = {Advanced Science},
  year = 2015,
}

@article{CTT100702336,
  author = {Tetsu Ichitsubo and Shinya Okamoto and Tomoya Kawaguchi and Yu Kumagai and Fumiyasu Oba and Shunsuke Yagi and Natsumi Goto and Takayuki Doi and Eiichiro Matsubara},
  title = {Toward “rocking-chair type” Mg–Li dual-salt batteries},
  journal = {Journal of Materials Chemistry A},
  year = 2015,
}

@article{CTT100741492,
  author = {S. Katayama and Y. Ogawa and H. Hayashi and F. Oba and I. Tanaka},
  title = {Epitaxial growth of tin (II) niobate with a pyrochlore structure},
  journal = {J. Cryst. Growth},
  year = 2015,
}

@article{CTT100741496,
  author = {Yoyo Hinuma and Andreas Gruneis and Georg Kresse and Fumiyasu Oba},
  title = {Band alignment of semiconductors from density-functional theory and many-body perturbation theory},
  journal = {Physical Review B},
  year = 2014,
}

@article{CTT100741495,
  author = {Yu Kumagai and Minseok Choi and Yoshitaro Nose and Fumiyasu Oba},
  title = {First-principles study of point defects in chalcopyrite ZnSnP2},
  journal = {Physical Review B},
  year = 2014,
}

@article{CTT100741494,
  author = {Yu Kumagai and Fumiyasu Oba},
  title = {Electrostatics-based finite-size corrections for first-principles point defect calculations},
  journal = {Physical Review B},
  year = 2014,
}

@article{CTT100741803,
  author = {R. Ishikawa and A. R. Lupini and F. Oba and S. D. Findlay and N. Shibata and T. Taniguchi and K. Watanabe and H. Hayashi and T. Sakai and I. Tanaka and Y. Ikuhara and S. J. Pennycook},
  title = {Atomic structure of luminescent centers in high-efficiency Ce-doped w-AlN single crystal},
  journal = {Scientific Reports},
  year = 2014,
}

@article{CTT100742310,
  author = {H. Murata and T. Taniguchi and S. Hishita and T. Yamamoto and F. Oba and I. Tanaka},
  title = {Local environment of silicon in cubic boron nitride},
  journal = {Journal of Applied Physics},
  year = 2013,
}

@article{CTT100741985,
  author = {Y. Hinuma and F. Oba and Y. Nose and I. Tanaka},
  title = {First-principles study of valence band offsets at ZnSnP2/CdS, ZnSnP2/ZnS, and related chalcopyrite/zincblende heterointerfaces},
  journal = {Journal of Applied Physics},
  year = 2013,
}

@article{CTT100741978,
  author = {Yoyo Hinuma and Fumiyasu Oba and Isao Tanaka},
  title = {Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study},
  journal = {Physical Review B},
  year = 2013,
}

@article{CTT100741979,
  author = {Yoyo Hinuma and Fumiyasu Oba and Yu Kumagai and Isao Tanaka},
  title = {Band offsets of CuInSe2/CdS and CuInSe2/ZnS (110) interfaces: A hybrid density functional theory study},
  journal = {Physical Review B},
  year = 2013,
}

@article{CTT100741980,
  author = {T. Yokoyama and A. Seko and H. Hayashi and Y. Nose and I. Tanaka and Fumiyasu Oba},
  title = {Theoretical photovoltaic conversion efficiencies of ZnSnP2, CdSnP2, and Zn1-xCdxSnP2 alloys},
  journal = {Applied Physics Express},
  year = 2013,
}

@article{CTT100741805,
  author = {R. Ishikawa and N. Shibata and F. Oba and T. Taniguchi and S. D. Findlay and I. Tanaka and Y. Ikuhara},
  title = {Functional complex point-defect structure in a huge-size-mismatch system},
  journal = {Physical Review Letters},
  year = 2013,
}

@article{CTT100741804,
  author = {M. Choi and F. Oba and Y. Kumagai and I. Tanaka},
  title = {Anti-ferrodistortive-like oxygen-octahedron rotation induced by the oxygen vacancy in cubic SrTiO3},
  journal = {Advanced Materials},
  year = 2013,
}

@article{CTT100742313,
  author = {Y. Hinuma and F. Oba and Y. Kumagai and I. Tanaka},
  title = {Ionization potentials of (112) and (11-2) facet surfaces of CuInSe2 and CuGaSe2},
  journal = {Physical Review B},
  year = 2012,
}

@article{CTT100742311,
  author = {H. Hayashi and R. Huang and F. Oba and T. Hirayama and I. Tanaka},
  title = {Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure},
  journal = {Applied Physics Letters},
  year = 2012,
}

@article{CTT100742490,
  author = {J. M. Polfus and K. Toyoura and F. Oba and I. Tanaka and R. Haugsrud},
  title = {Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space-charge theory},
  journal = {Physical Chemistry Chemical Physics},
  year = 2012,
}

@article{CTT100742500,
  author = {H. Akamatsu and K. Fujita and H. Hayashi and T. Kawamoto and Y. Kumagai and Y. Zong and K. Iwata and F. Oba and I. Tanaka and K. Tanaka},
  title = {Crystal and electronic structure and magnetic properties of divalent europium perovskite oxides EuMO3 (M = Ti, Zr, and Hf): Experimental and first-principles approaches},
  journal = {Inorganic Chemistry},
  year = 2012,
}

@article{CTT100742314,
  author = {Y. Kumagai and Y. Soda and F. Oba and A. Seko and I. Tanaka},
  title = {First-principles calculations of the phase diagrams and band gaps in CuInSe2-CuGaSe2 and CuInSe2-CuAlSe2 pseudobinary systems},
  journal = {Physical Review B},
  year = 2012,
}

@article{CTT100742489,
  author = {Y. Kumagai and A. Seko and F. Oba and I. Tanaka},
  title = {Ground-state search in multicomponent magnetic systems},
  journal = {Physical Review B},
  year = 2012,
}

@article{CTT100742532,
  author = {S. Katayama and H. Hayashi and F. Oba and I. Tanaka},
  title = {Epitaxial growth and characterization of rocksalt ZnO thin films with low-level NiO alloying},
  journal = {Japanese Journal of Applied Physics},
  year = 2011,
}

@article{CTT100742501,
  author = {H. Akamatsu and Y. Kumagai and F. Oba and K. Fujita and H. Murakami and K. Tanaka and I. Tanaka},
  title = {Antiferromagnetic superexchange via 3d states of titanium in EuTiO3 as seen from hybrid Hartree-Fock density functional calculations},
  journal = {Physical Review B},
  year = 2011,
}

@article{CTT100742493,
  author = {M. Choi and F. Oba and I. Tanaka},
  title = {Hybrid density functional study of oxygen vacancies in KTaO3 and NaTaO3},
  journal = {Physical Review B},
  year = 2011,
}

@article{CTT100742491,
  author = {F. Oba and M. Choi and A. Togo and I. Tanaka},
  title = {Point defects in ZnO: An approach from first principles},
  journal = {Science and Technology of Advanced Materials},
  year = 2011,
}

@article{CTT100742492,
  author = {M. Choi and F. Oba and I. Tanaka},
  title = {Electronic and structural properties of the oxygen vacancy in BaTiO3},
  journal = {Applied Physics Letters},
  year = 2011,
}

@article{CTT100742510,
  author = {H. Hayashi and R. Huang and F. Oba and T. Hirayama and I. Tanaka},
  title = {Epitaxial growth of Mn-doped γ-Ga2O3 on spinel substrate},
  journal = {Journal of Materials Research},
  year = 2011,
}

@article{CTT100742531,
  author = {H. Hayashi and R. Huang and F. Oba and T. Hirayama and I. Tanaka},
  title = {Atomistic structure and energetics of interface between Mn-doped γ-Ga2O3 and MgAl2O4},
  journal = {Journal of Materials Science},
  year = 2011,
}

@article{CTT100743231,
  author = {I. Tanaka and A. Togo and A. Seko and F. Oba and Y. Koyama and A. Kuwabara},
  title = {Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations},
  journal = {Journal of Materials Chemistry.},
  year = 2010,
}

@article{CTT100743229,
  author = {I. Tanaka and A. Seko and A. Togo and Y. Koyama and F. Oba},
  title = {Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations},
  journal = {Journal of Physics: Condensed Matter},
  year = 2010,
}

@article{CTT100743230,
  author = {T. Waki and S. Terazawa and Y. Tabata and F. Oba and C. Michioka and K. Yoshimura and S. Ikeda and H. Kobayashi and K. Ohoyama and H. Nakamura},
  title = {Non-Fermi-liquid behavior on an iron-based itinerant electron magnet Fe3Mo3N},
  journal = {Journal of the Physical Society of Japan},
  year = 2010,
}

@article{CTT100742534,
  author = {A. Seko and F. Oba and I. Tanaka},
  title = {Classification of spinel structures based on first-principles cluster expansion analysis},
  journal = {Physical Review B},
  year = 2010,
}

@article{CTT100742533,
  author = {F. Oba and A. Togo and I. Tanaka and K. Watanabe and T. Taniguchi},
  title = {Doping of hexagonal boron nitride via intercalation: A theoretical prediction},
  journal = {Physical Review B},
  year = 2010,
}

@article{CTT100743232,
  author = {M. Choi and F. Oba and I. Tanaka},
  title = {Role of Ti antisite-like defects in SrTiO3},
  journal = {PHYSICAL REVIEW LETTERS},
  year = 2009,
}

@article{CTT100743233,
  author = {Y. Kumagai and F. Oba and I. Yamada and M. Azuma and I. Tanaka},
  title = {First-principles study of defect-induced potentials in Ca2CuO2Cl2},
  journal = {Physical Review B},
  year = 2009,
}

@article{CTT100743635,
  author = {I. Kishida and F. Oba and Y. Koyama and A. Kuwabara and I. Tanaka},
  title = {Variable anisotropy of ionic conduction in lithium nitride: Effect of duplex-charge transfer},
  journal = {PHYSICAL REVIEW B},
  year = 2009,
}

@article{CTT100743636,
  author = {M. Choi and K. Matsunaga and F. Oba and I. Tanaka},
  title = {27Al NMR chemical shifts in oxide crystals: A first-principles study"},
  journal = {The Journal of Physical Chemistry C},
  year = 2009,
}

@article{CTT100760288,
  author = {K. Toyoura and Y. Koyama and A. Kuwabara and F. Oba and I. Tanaka},
  title = {First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound},
  journal = {Physical Review B},
  year = 2008,
}

@article{CTT100760287,
  author = {Atsushi Togo and Fumiyasu Oba and Isao Tanaka},
  title = {First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures},
  journal = {Physical Review B},
  year = 2008,
}

@article{CTT100743640,
  author = {M. Choi and F. Oba and I. Tanaka},
  title = {First-principles study of native defects and lanthanum impurities in NaTaO3},
  journal = {PHYSICAL REVIEW B},
  year = 2008,
}

@article{CTT100743637,
  author = {F. Oba and A. Togo and I. Tanaka and J. Paier and G. Kresse},
  title = {Defect energetics in ZnO: A hybrid Hartree-Fock density functional study},
  journal = {PHYSICAL REVIEW B},
  year = 2008,
}

@article{CTT100743638,
  author = {A. Togo and F. Oba and I. Tanaka},
  title = {Transition pathway of CO2 crystals under high pressures},
  journal = {PHYSICAL REVIEW B},
  year = 2008,
}

@article{CTT100743641,
  author = {Y. Kumagai and H. Ikeno and F. Oba and K. Matsunaga and I. Tanaka},
  title = {Effects of crystal structure on Co-L2,3 x-ray absorption near-edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides},
  journal = {PHYSICAL REVIEW B},
  year = 2008,
}

@article{CTT100760286,
  author = {K. Yuge and A. Seko and Y. Koyama and F. Oba and I. Tanaka},
  title = {First-principles-based phase diagram of the cubic BNC ternary system},
  journal = {Physical Review B},
  year = 2008,
}

@article{CTT100743639,
  author = {Atsuto Seko and Atsushi Togo and Fumiyasu Oba and Isao Tanaka},
  title = {Structure and stability of homologous series of tin oxides},
  journal = {PHYSICAL REVIEW LETTERS},
  year = 2008,
}

@article{CTT100760292,
  author = {I. Tanaka and Fumiyasu Oba},
  title = {First principles calculations for modern ceramic science and engineering},
  journal = {Journal of Physics: Condensed Matter},
  year = 2008,
}

@inproceedings{CTT100926123,
  author = {Y. Mochizuki and H.-J. Sung and T. Gake and F. Oba},
  title = {Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic ABO3 from First Principles},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100926701,
  author = {Teruya Nagafuji and Koshiro Osuna and Kota Hanzawa and Tomoya Gake and Soungmin Bae and Zhongxu Hu and Takayoshi Katase and Akira Takahashi and Hidenori Hiramatsu and Fumiyasu Oba},
  title = {Elucidation of Carrier Generation and Compensation Mechanism in La2SnO2S3},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100926700,
  author = {Teruya Nagafuji and Koshiro Osuna and Kota Hanzawa and Tomoya Gake and Soungmin Bae and Zhongxu Hu and Takayoshi Katase and Akira Takahashi and Hidenori Hiramatsu and Fumiyasu Oba},
  title = {Point Defects and Self-Trapped Electrons in La2SnO2S3},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100910045,
  author = {高橋亮 and 紅野圭汰 and 熊谷悠 and 大場史康},
  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{CTT100911656,
  author = {中川亮祐 and 高橋亮 and 佐藤暢哉 and 王天威 and 大場史康},
  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{CTT100911655,
  author = {長藤瑛哉 and 我毛智哉 and 裵星旻 and 高橋亮 and 大場史康},
  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 = {中川亮祐 and 高橋亮 and 佐藤暢哉 and 王天威 and 大場史康},
  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 = {長藤瑛哉 and 我毛智哉 and 裵星旻 and 高橋亮 and 大場史康},
  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{CTT100907455,
  author = {Y. Mochizuki and H.-J. Sung and T. Gake and F. Oba},
  title = {Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic Perovskite Oxides: A First-Principles Study},
  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{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{CTT100907973,
  author = {Fumiyasu Oba},
  title = {Computational design and exploration of nitride and oxide semiconductors},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907983,
  author = {長藤瑛哉 and 我毛智哉 and 裵星旻 and 高橋亮 and 大場史康},
  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 = {紅野圭汰 and 高橋亮 and 熊谷悠 and 大場史康},
  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 = {石井孝憲 and 高橋 亮 and 長藤瑛哉 and 大場史康},
  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{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{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{CTT100907985,
  author = {Akira Takahashi and Fumiyasu Oba},
  title = {Autonomous Materials Screening Using High-Throughput Theoretical Calculation and Machine Learning},
  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{CTT100907568,
  author = {松崎功佑 and 片瀬貴義 and 熊谷悠 and 角田直樹 and 原田航 and 大場史康 and 細野秀雄},
  title = {Pd0価ドーピングによる窒化銅半導体のバンド構造制御と熱電特性},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100907976,
  author = {大場史康},
  title = {第一原理計算による窒化物・酸化物半導体の設計と新材料開拓},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890849,
  author = {石井孝憲 and 高橋亮 and 長藤瑛哉 and 大場史康},
  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{CTT100890850,
  author = {大場史康},
  title = {計算科学に立脚した窒化物･酸化物半導体の設計･探索},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890848,
  author = {石井孝憲 and 高橋亮 and 長藤瑛哉 and 大場史康},
  title = {α-(AlxGa1-x)2O3固溶体の電子状態の第一原理計算},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100890846,
  author = {大場史康},
  title = {第一原理計算による窒化物･酸化物半導体の設計と新材料開拓},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100891084,
  author = {高橋亮 and 熊谷悠 and 大場史康},
  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{CTT100890847,
  author = {大場史康},
  title = {第一原理計算による無機材料の特性予測の現状と課題},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100886713,
  author = {今井佑汰 and 角田直樹 and 大場史康 and 熊谷悠},
  title = {酸化物の表面近傍における酸素空孔に関する第一原理計算},
  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{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{CTT100886707,
  author = {大場史康},
  title = {第一原理計算による窒化物･酸化物半導体の設計と探索},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100882012,
  author = {我毛 智哉 and 熊谷 悠 and 高橋 亮 and 大場 史康},
  title = {La2CdO2Se2中の固有点欠陥に関する理論的検討},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100881779,
  author = {Yasuhide Mochizuki and Takayuki Nagai and Hirokazu Shirakuni and Akitoshi Nakano and Fumiyasu Oba and Ichiro Terasaki and Hiroki Taniguchi},
  title = {Weak Ferroelectricity of Li2SrNb2O7 Triggered by Two Coexisting Mechanisms},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100886709,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {High-throughput computational study of hydrogen impurities in oxides},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100869299,
  author = {角田直樹 and 熊谷悠 and 大場史康},
  title = {金属酸化物中の格子間水素不純物の局所構造及び電荷遷移準位に関する第一原理計算},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100867144,
  author = {我毛 智哉 and 熊谷 悠 and 大場 史康},
  title = {層状オキシカルコゲナイドLa2CdO2Se2中の点欠陥の第一原理計算},
  booktitle = {},
  year = 2022,
}

@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 = {高橋亮 and 熊谷悠 and 青木宏賢 and 大場史康},
  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 = {大場史康},
  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{CTT100863949,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {Prediction of interstitial proton positions in metal oxides},
  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{CTT100863945,
  author = {大場史康},
  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 = {菊地諒介 and 中村透 and 藏渕孝浩 and 金子泰 and 熊谷悠 and 大場史康},
  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 = {大場史康},
  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 = {大場史康},
  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 = {高橋亮 and 青木宏賢 and 熊谷悠 and 大場史康},
  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 = {大場史康},
  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,
}

@inproceedings{CTT100843536,
  author = {青木宏賢 and 高橋亮 and 熊谷悠 and 大場史康},
  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{CTT100843507,
  author = {菊地諒介 and 上野航輝 and 中村透 and 藏渕孝浩 and 金子泰 and 熊谷悠 and 大場 史康},
  title = {光電変換材料への応用を目的としたSrZn2N2の第一原理計算による物性予測と合成},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100843538,
  author = {菊地諒介 and 上野航輝 and 中村透 and 藏渕孝浩 and 金子泰 and 熊谷悠 and 大場史康},
  title = {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},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100841413,
  author = {望月 泰英 and 赤松 寛文 and 熊谷 悠 and Ha-Jun Sung and 高橋 亮 and 永井 隆之 and 谷口 博基 and 大場 史康},
  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{CTT100842143,
  author = {大場史康},
  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 = 2020,
}

@inproceedings{CTT100821894,
  author = {青木宏賢 and 宮本惇 and 高橋亮 and 熊谷悠 and 大場史康},
  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{CTT100820966,
  author = {望月 泰英 and 熊谷 悠 and 赤松 寛文 and 大場 史康},
  title = {第一原理計算によるアンチペロブスカイトの歪誘起ポーラーメタル相の理論予測},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820967,
  author = {早川 周作 and 原田 航 and 望月 泰英 and 高橋 亮 and 熊谷 悠 and 大場 史康},
  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{CTT100820968,
  author = {白邦 裕千 and 永井 隆之 and 望月 泰英 and 大場 史康 and 中埜 彰俊 and 寺崎 一郎 and 谷口 博基},
  title = {擬 Ruddlesden-Popper 型酸化物 Li2SrNb2O7の元素置換効果},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100821907,
  author = {我毛 智哉 and 熊谷 悠 and 大場 史康},
  title = {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},
  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{CTT100821906,
  author = {Naoki Tsunoda and Yu Kumagai and Fumiyasu Oba},
  title = {Small Polarons in BaTiO3: A First-Principles Study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100813604,
  author = {Yasuhide Mochizuki and Yu Kumagai and Hirofumi Akamatsu and Fumiyasu Oba},
  title = {Strain-induced Peierls transition and polar-metal phases in Ni-based perovskites},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100813602,
  author = {Ha-Jun SUNG and Yasuhide Mochizuki and Fumiyasu Oba},
  title = {Effects of chemical composition and surface reconstruction on band alignment of perovskite oxides},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809762,
  author = {Christian A. Niedermeier and Yu Kumagai and Keisuke Ide and Takayoshi Katase and Fumiyasu Oba and Hideo Hosono and Toshio Kamiya},
  title = {Single crystal growth and intrinsic electron mobility of cubic SrGeO3},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821893,
  author = {大場史康},
  title = {第一原理計算による半導体物性の系統的予測と新物質探索},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821908,
  author = {T. Gake and Y. Kumagai and F. Oba},
  title = {Stability of Self-Trapped Holes in Ga2O3 polymorphs},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809597,
  author = {望月 泰英 and ソン ハジュン and 高橋 亮 and 熊谷 悠 and 大場 史康},
  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{CTT100821958,
  author = {黒岩祐一郎 and 松下雄一郎 and 大場史康},
  title = {計算材料データベースを用いたスピンバレーホール効果を示す多バレー三次元物質の探索},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100813601,
  author = {Ha-Jun SUNG and Yasuhide Mochizuki and Fumiyasu Oba},
  title = {Effects of Surface Reconstruction on Band Alignment in Perovskite Oxides},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821909,
  author = {Tomoya Gake and Yu Kumagai and Fumiyasu Oba},
  title = {Finite-Size Corrections for First-Principles Calculations of Defect-Involving Vertical Transitions},
  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{CTT100809990,
  author = {大場史康},
  title = {第一原理計算による窒化物・酸化物半導体の系統的物性予測とデータ駆動型新物質探索},
  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{CTT100813603,
  author = {Ha-Jun Sung and Yasuhide Mochizuki and Fumiyasu Oba},
  title = {Band Alignment and Reconstruction of ABO3 (001) Surfaces},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809745,
  author = {Christian A. Niedermeier and Yu Kumagai and Keisuke Ide and Takayoshi Katase and Fumiyasu Oba and Hideo Hosono and Toshio Kamiya},
  title = {Single crystal growth of cubic SrGeO3 and estimation of intrinsic electron mobility},
  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{CTT100821905,
  author = {角田 直樹 and 熊谷 悠 and 大場史康 and },
  title = {BaTiO3 中の電子ポーラロンに関する理論的検討},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821910,
  author = {我毛 智哉 and 熊谷 悠 and 大場 史康},
  title = {欠陥を介した光学遷移エネルギーの高精度計算手法の開発},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100809884,
  author = {高橋亮 and 熊谷悠 and 宮本惇 and 望月泰英 and 大場史康},
  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{CTT100808578,
  author = {大場史康},
  title = {半導体物性の系統的理論予測とデータ駆動型新物質探索（解説論文賞受賞記念講演 ）},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100808581,
  author = {大場史康},
  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 = 2019,
}

@inproceedings{CTT100809756,
  author = {Christian A. Niedermeier and Yu Kumagai and Keisuke Ide and Takayoshi Katase and Fumiyasu Oba and Hideo Hosono and Toshio Kamiya},
  title = {SrGeO3 single crystal growth and optical phonon spectrum analysis},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821912,
  author = {T. Gake and Y. Kumagai and F. Oba},
  title = {Small hole polarons in Ga2O3 polymorphs: a first-principles study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821957,
  author = {Yuichiro Kuroiwa and Yu-ichiro Matsushita and Kou Harada and Fumiyasu Oba},
  title = {Strain-induced carrier effective mass modulation in 4H-SiC and GaN: A first-principles study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100803310,
  author = {Yasuhide Mochizuki and Yu Kumagai and Hirofumi Akamatsu and Fumiyasu Oba},
  title = {Polar-Metal Phases in Strained Antiperovskites: A First-principles Study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100808582,
  author = {大場史康},
  title = {半導体物性の系統的理論予測とデータ駆動型新物質探索},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821913,
  author = {T. Gake and Y. Kumagai and F. Oba},
  title = {Hole Trapping in Gallium Oxide from First Principles},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100808583,
  author = {F. Oba},
  title = {Computational design and exploration of nitride semiconductors},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100808584,
  author = {大場史康},
  title = {マテリアルズインフォマティクスに立脚した新規半導体の開拓},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821956,
  author = {黒岩祐一郎 and 松下雄一郎 and 大場史康},
  title = {データベースを用いたスピンバレーホール効果を示す三次元物質の探索},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821915,
  author = {我毛 智哉 and 熊谷 悠 and 大場 史康},
  title = {Ga2O3中の自己束縛正孔の第一原理計算},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100813605,
  author = {Yasuhide Mochizuki and Yu Kumagai and Hirofumi Akamatsu and Fumiyasu Oba},
  title = {Polar metallic behavior in strained antiperovskites: A first-principles study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100821916,
  author = {我毛 智哉 and 熊谷 悠 and 大場 史康},
  title = {酸化ガリウム多形におけるホールポーラロンの第一原理計算},
  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,
}

@inproceedings{CTT100786079,
  author = {望月 泰英 and 熊谷 悠 and 赤松 寛文 and 大場 史康},
  title = {第一原理計算によるアンチペロブスカイトのポーラーメタル相の予測},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100821917,
  author = {Tomoya Gake and Yu Kumagai and Fumiyasu Oba},
  title = {First-Principles Study of Hole Polarons in Ga2O3 Polymorphs},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100778130,
  author = {大場史康},
  title = {半導体物性の理論予測とデータ駆動型新物質探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100821955,
  author = {黒岩祐一郎 and 松下雄一郎 and 大場史康},
  title = {第一原理計算に基づく4H-SiCの格子歪みによる電子・正孔の有効質量への影響の解明},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100821918,
  author = {T. Gake and Y. Kumagai and F. Oba},
  title = {Theoretical study of self-trapped holes in gallium oxide},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100821903,
  author = {角田 直樹 and 熊谷 悠 and 大場 史康},
  title = {ペロブスカイト類縁酸化物中の酸素空孔に関する第一原理計算},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100775889,
  author = {大場史康},
  title = {半導体物性の理論予測とデータ駆動型新物質探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100775890,
  author = {大場史康},
  title = {半導体物性の理論予測とデータ駆動型新物質探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100775891,
  author = {大場史康},
  title = {第一原理計算による半導体物性の予測とデータ駆動型新物質探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100775892,
  author = {F. Oba},
  title = {Design and exploration of novel semiconductors using first-principles calculations},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100778582,
  author = {大場史康},
  title = {第一原理計算による半導体物性の高精度予測と新物質探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100821902,
  author = {角田 直樹 and 熊谷 悠 and 大場 史康},
  title = {ZnSnN2中の点欠陥の第一原理計算},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100775894,
  author = {大場史康},
  title = {マテリアルズ・インフォマティクスに基づく新規窒化物半導体の探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100778295,
  author = {大場史康},
  title = {第一原理計算による半導体物性の高精度予測と新物質探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786077,
  author = {Yasuhide Mochizuki and Hirofumi Akamatsu and Yu Kumagai and Fumiyasu Oba},
  title = {Peierls Instability of Layered Perovskite La3Ni2O7 under Epitaxial Strain from First Principles},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100778294,
  author = {大場史康},
  title = {データ駆動型材料探索に立脚した新規半導体の開拓},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100775895,
  author = {大場史康},
  title = {in silicoスクリーニングによる新規窒化物半導体の探索},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100821899,
  author = {Naoki Tsunoda and Yu Kumagai and Fumiyasu Oba},
  title = {Defect Energetics in Scandium Nitride: A First-Principles Study},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100786078,
  author = {望月 泰英 and 赤松 寛文 and 熊谷 悠 and 大場 史康},
  title = {第一原理計算によるLa3Ni2O7の圧縮面内歪誘起金属絶縁体転移},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100786076,
  author = {Yasuhide Mochizuki and Hirofumi Akamatsu and Yu Kumagai and Fumiyasu Oba},
  title = {First-Principles Study of Compressive Strain-Induced Metal-Insulator Transition in La3Ni2O7},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100775896,
  author = {F. Oba},
  title = {In silico design and exploration of novel nitride semiconductors},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100778583,
  author = {大場史康},
  title = {第一原理計算による半導体物性の高精度予測と新物質探索},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100783601,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {Ab initio study of point defects and p-type doping in ScN},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100783588,
  author = {Y. Mochizuki and H. Akamatsu and Y. Kumagai and F. Oba},
  title = {Peierls instability of a layered perovskite La3Ni2O7 under biaxial compressive strain via first-principles calculations},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100775898,
  author = {大場史康},
  title = {第一原理計算と高圧合成による新規窒化物半導体の探索},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100775897,
  author = {F. Oba},
  title = {In silico design and exploration of novel semiconductors},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752955,
  author = {Y. Mochizuki and H. Akamatsu and Y. Kumagai and F. Oba},
  title = {Metal-insulator transition with structural distortion in a layered perovskite La3Ni2O7: A first-principles study},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100783602,
  author = {Y. Mochizuki and H. Akamatsu and Y. Kumagai and F. Oba},
  title = {First-principles study of strain-induced metal-insulator transition in a lanthanum nickelate layered perovskite},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752939,
  author = {Fumiyasu Oba},
  title = {In silico design and exploration of novel nitride semiconductors},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752959,
  author = {N. Tsunoda and Y. Kumagai and F. Oba},
  title = {Point defects in scandium nitride: A first-principles study},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752958,
  author = {N. Nishiya and K. Harada and Y. Kumagai and H. Akamatsu and F. Oba},
  title = {Theoretical study of doping limits in semiconductors},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752957,
  author = {Y. Mochizuki and H. Akamatsu and Y. Kumagai and F. Oba},
  title = {Metal-insulator phase transition induced by biaxial compressive strain in La3Ni2O7: A first-principles study},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100786075,
  author = {望月泰英 and 赤松寛文 and 熊谷悠 and 大場史康},
  title = {第一原理計算による層状ペロブスカイトLa3Ni2O7の面内歪下における安定結晶構造探},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752942,
  author = {西谷宣彦 and 原田航 and 熊谷悠 and 赤松寛文 and 大場史康},
  title = {化合物半導体における点欠陥形成とドーピング限界の理論的検討},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752937,
  author = {大場史康},
  title = {第一原理計算による半導体物性の高精度予測と新物質探索},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752936,
  author = {大場史康},
  title = {インシリコスクリーニングによる新規窒化物半導体の発見},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752934,
  author = {大場史康},
  title = {新しい窒化物半導体の発見 ― in silicoスクリーニングによる予測と実験による実証},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100776704,
  author = {F. Oba},
  title = {In silico design and exploration of novel semiconductors},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100776705,
  author = {大場史康},
  title = {第一原理計算による半導体の物性・欠陥特性の高精度予測と新物質探索},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100751918,
  author = {原田 航 and 熊谷 悠 and 松崎 功佑 and 須崎（須﨑） 友文 and 大場 史康},
  title = {第一原理計算による窒化銅中の固有点欠陥及び不純物点欠陥の解析},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100741474,
  author = {望月 泰英 and 赤松 寛文 and 熊谷 悠 and 大場 史康},
  title = {第一原理計算による層状ペロブスカイトLa3Ni2O7の構造不安定性},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100751919,
  author = {赤松 寛文 and B. K. VanLeewen and I. Dabo and 熊谷 悠 and 大場 史康 and L.-Q. Chen and V. Gopalan},
  title = {表現理論と第一原理計算に基づいたPbTiO3における180°強誘電ドメイン壁移動パスの探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100741476,
  author = {西谷 宣彦 and 原田 航 and 熊谷 悠 and 赤松寛文 and 大場 史康},
  title = {半導体におけるドーピング限界の理論的研究},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734341,
  author = {大場史康},
  title = {第一原理計算による半導体の物性予測と物質探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734349,
  author = {Y. Mochizuki and H. Akamatsu and Y. Kumagai and F. Oba},
  title = {First-principles study of structural distortion in a layered perovskite La3Ni2O7},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100776707,
  author = {大場史康},
  title = {第一原理計算による半導体物性の高精度予測と新物質探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100718731,
  author = {大場史康},
  title = {先進計算スクリーニングによる新規半導体の開拓},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734342,
  author = {原田航 and 熊谷悠 and 西谷宣彦 and 松崎功佑 and 須崎友文 and 大場史康},
  title = {窒化銅中の点欠陥の第一原理計算},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734343,
  author = {西谷宣彦 and 原田航 and 熊谷悠 and 赤松寛文 and 大場史康},
  title = {第一原理計算による化合物半導体のドーピング限界の検討},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734344,
  author = {望月泰英 and 赤松寛文 and 熊谷悠 and 大場史康},
  title = {第一原理計算による層状ペロブスカイト酸化物の基底状態構造探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734345,
  author = {日沼洋陽 and 畠山泰典 and 熊谷悠 and バートン・リー and 佐藤光 and 村場善行 and 飯村壮史 and 平松秀典 and 田中功 and 細野秀雄 and 大場史康},
  title = {第一原理計算と高圧合成による新規窒化物半導体の探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734346,
  author = {熊谷悠 and Lee A. Burton and Aron Walsh and 大場史康},
  title = {硫化スズ中の点欠陥に関する第一原理計算},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100708473,
  author = {Fumiyasu Oba},
  title = {Predictions of point defect, surface, and interface properties in semiconductors using first-principles calculations},
  booktitle = {AIP Conference Proceedings},
  year = 2016,
}

@inproceedings{CTT100715993,
  author = {大場史康},
  title = {最新の第一原理計算とその応用: I. 半導体の物性予測の基礎，II. 半導体材料の設計・探索への応用},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100715992,
  author = {大場史康},
  title = {先端計算科学による半導体物性の高精度予測と新物質探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100715990,
  author = {大場史康},
  title = {先進計算科学による半導体物性の高精度予測と新物質探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100716003,
  author = {Kou Harada and Yu Kumagai and Kosuke Matsuzaki and Tomofumi Susaki and Fumiyasu Oba},
  title = {First-principles study of point defects in copper nitride},
  booktitle = {AMTC Letters},
  year = 2016,
}

@inproceedings{CTT100705409,
  author = {Yu Kumagai and Lee A. Burton and Aron Walsh and Fumiyasu Oba},
  title = {Ab initio study of point defects in tin sulfides},
  booktitle = {AMTC Letters},
  year = 2016,
}

@inproceedings{CTT100705411,
  author = {Fumiyasu Oba},
  title = {Accurate predictions of defect properties in semiconductors: Towards understanding, screening, and discovery of materials},
  booktitle = {AMTC Letters},
  year = 2016,
}

@inproceedings{CTT100702913,
  author = {大場史康},
  title = {半導体の物性予測と物質探索 － 先端計算科学からのアプローチ},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100705414,
  author = {Fumiyasu Oba},
  title = {Accurate predictions of defect properties in semiconductors: Towards understanding and screening of materials},
  booktitle = {},
  year = 2015,
}

@misc{CTT100778584,
  author = {大場史康},
  title = {第一原理計算による半導体の系統的物性予測とin silicoスクリーニング},
  year = 2018,
}

@misc{CTT100760874,
  author = {熊谷悠 and 大場史康},
  title = {半導体材料探索に向けた計算材料データベースの開発},
  year = 2018,
}

@misc{CTT100760875,
  author = {熊谷悠 and 大場史康},
  title = {半導体材料探索に向けた計算データベースの開発},
  year = 2017,
}

@misc{CTT100751917,
  author = {大場史康 and 日沼洋陽 and 熊谷悠},
  title = {第一原理計算による半導体の物性予測と物質探索},
  year = 2017,
}

@misc{CTT100735223,
  author = {大場史康 and 平松秀典},
  title = {新しい赤色発光窒化物半導体の実現},
  year = 2017,
}

@misc{CTT100735222,
  author = {石川亮 and 柴田直哉 and 幾原雄一 and 大場史康 and Scott D. Findlay and 谷口尚 and 田中功},
  title = {立方晶窒化ホウ素中に形成された複合点欠陥},
  year = 2016,
}

@misc{CTT100705412,
  author = {大場 史康 and 熊谷 悠 and 日沼 洋陽},
  title = {先進計算科学による半導体物性の高精度予測と新物質探索},
  year = 2016,
}

@misc{CTT100702343,
  author = {大場 史康 and 日沼 洋陽 and 熊谷 悠},
  title = {半導体の基礎物性・格子欠陥特性の高精度理論予測と物質・材料探索への展開},
  year = 2015,
}

@misc{CTT100926877,
  author = {大場史康 and 平松秀典 and 我毛智哉 and 半沢幸太},
  title = {４元系酸カルコゲン化物および電子素子},
  howpublished = {公開特許},
  year = 2024,
  month  = {},
  note   = {特願2022-205476(2022/12/22), 特開2024-091629(2024/07/05)}
}


@misc{CTT100785215,
  author = {松崎功佑 and 細野秀雄 and 大場史康 and 熊谷悠 and 原田航 and 雲見日出也},
  title = {窒化銅半導体およびその製造方法},
  howpublished = {登録特許},
  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)}
}