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Research Showcase

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  • Case

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

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

  • Case

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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Study on structural elementary excitations at semiconductor surfaces and interfaces

ISSP Activity Report 2023, p. 130-131…Read More

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Theoretical investigation for systemataising surface diradical

ISSP Activity Report 2023, p. 182-183…Read More

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HPC-based fusion of quantum simulation, experiment analysis and data-driven science

ISSP Activity Report 2023, p. 103…Read More

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Structure analysis of Sb/Bi heterostructure on Si(111) by Total-Reflect High-Energy Positron Diffraction with 2DMAT

ISSP Activity Report 2023, p. 332-333…Read More

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Density functional theory calculations of H2O adsorption monolayer on a Pt(111) surface

ISSP Activity Report 2023, p. 15-22…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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