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Research Showcase

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Fusion of computational material science and data-driven science with massively parallel computation

ISSP Activity Report 2020, p. 82-83…Read More

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Ab-initio simulation of electron energy distribution in an insulator excited by an intense laser pulse

ISSP Activity Report 2023, p. 134-135…Read More

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Implementation of Finite-Temperature Calculation in TeNeS

ISSP Activity Report 2023, p. 371-372…Read More

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Ab initio optical calculation by RESPACK

ISSP Activity Report 2023, p. 45-52…Read More

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Equilibrium/nonequilibrium electrochemistry of disordered solid-state interfaces

ISSP Activity Report 2023, p. 81…Read More

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Search and realization of novel electronic properties of surfaces and interfaces and of nanostructures

ISSP Activity Report 2023, p. 193-194…Read More

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Theoretical Study for Mixed-sequence Oligomer Salt Modeling Doped PEDOT Family

ISSP Activity Report 2023, p. 237…Read More

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Theoretical study of oxygen-evolution reactions by first- principles calculations

ISSP Activity Report 2023, p. 145-146…Read More

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Development of First-principles Codes for Evaluation of Physical Properties Through Local Berry Phases

ISSP Activity Report 2023, p. 153…Read More

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Tensor Netowkr Study on S = 1 Bilinear-Biquadratic Kitaev model

ISSP Activity Report 2023, p. 262-263…Read More

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App Ranking

  • Crystallography Open Database(1→)
  • VESTA(2→)
  • GSYS(3→)
  • ASM Alloy Phase Diagram Database
  • Chem3D(4↘)
  • QUANTUM ESPRESSO(7↗)
  • CASINO(9↗)
  • ORCA(20↗)
  • ALAMODE(16↗)
  • Materials Project(12↗)
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