Hiroshi Mizuseki

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Publications (307)

• First-principles investigation of ordered structures in zinc blende III–V ternary semiconductors
  Journal of Applied Physics 2026 DOI: 10.1063/5.0313990
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• Stable HCP high-entropy alloys identified by knowledge-based screening and valence electron concentration criteria
  Computational Materials Science 2026 DOI: 10.1016/j.commatsci.2026.114584
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• Valence electron concentration-dependent stability of L12, D023, and D022 ordered phases in high-entropy alloys
  Computational Materials Science 2025 DOI: 10.1016/j.commatsci.2025.114114
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• Building an end-to-end battery recipe knowledge base via transformer-based text mining
  Communications Materials 2025 DOI: 10.1038/s43246-025-00825-z
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• Ordered phases in ternary wurtzite group-III nitrides: A first-principles study
  Journal of Applied Physics 2024 DOI: 10.1063/5.0202068
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• Metastable atomic-ordered configurations for Al1/2Ga1/2N predicted by Monte-Carlo method based on first-principles calculations
  Journal of Physics: Condensed Matter 2024 DOI: 10.1088/1361-648X/ad1137
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• Order–disorder competition in equiatomic 3d–transition–metal quaternary alloys: phase stability and electronic structure
  Science and Technology of Advanced Materials: Methods 2023 DOI: 10.1080/27660400.2022.2153632
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• Formation energy crossings in Ga2O3-Al2O3 quasibinary system: ordered structures and phase transitions in (Al x Ga1−x )2O3
  Japanese Journal of Applied Physics 2023 DOI: 10.35848/1347-4065/acd42c
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• High-Throughput Computational Screening of Two-Dimensional Semiconductors
  The Journal of Physical Chemistry Letters 2022 DOI: 10.1021/acs.jpclett.2c02972
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• Atomistic origin of compositional pulling effect in wurtzite (B, Al, In)xGa1−xN: A first-principles study
  Journal of Applied Physics 2021 DOI: 10.1063/5.0050102
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• Body centered cubic carbon BC14: An all- sp3 bonded full-fledged pentadiamond
  Physical Review B 2020 DOI: 10.1103/physrevb.102.184106
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• C<inf>568</inf>: A new two-dimensional sp2-sp3 hybridized allotrope of carbon
  Carbon 2020 DOI: 10.1016/j.carbon.2019.11.062
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• Cmme-SnS: a two-dimensional tin sulfide nanosheet
  Journal of Materials Chemistry A 2020 DOI: 10.1039/d0ta05598k
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• A superhard orthorhombic carbon with all six-membered-ring in sp3 bonding networks
  Physics Letters, Section A: General, Atomic and Solid State Physics 2019 DOI: 10.1016/j.physleta.2019.05.051
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• Accelerated data-driven accurate positioning of the band edges of MXenes
  Avanish Mishra, Swanti Satsangi, Arunkumar Chitteth Rajan +3 more
  Journal of Physical Chemistry Letters 2019 DOI: 10.1021/acs.jpclett.9b00009
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• Reactive molecular dynamics simulation of the amorphous carbon growth: Effect of the carbon triple bonds
  Computational Materials Science 2019 DOI: 10.1016/j.commatsci.2019.109143
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• Computational discovery of a new rhombohedral diamond phase
  Physical Review B 2018 DOI: 10.1103/PhysRevB.98.094107
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• Machine-learning-assisted accurate band gap predictions of functionalized mxene
  Arunkumar Chitteth Rajan, Avanish Mishra, Swanti Satsangi +4 more
  Chemistry of Materials 2018 DOI: 10.1021/acs.chemmater.8b00686
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• New carbon allotropes in sp + sp3 bonding networks consisting of C<inf>8</inf> cubes
  Physical Chemistry Chemical Physics 2018 DOI: 10.1039/c7cp08380g
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• Onion-like carbon as dopant/modification-free electrocatalyst for [VO]2+/[VO<inf>2</inf>]+ redox reaction: Performance-control mechanism
  Carbon 2018 DOI: 10.1016/j.carbon.2017.10.073
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