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Research Showcase

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Study on structural elementary excitations at semiconductor surfaces and interfaces

ISSP Activity Report 2021, p. 129…Read More

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Development of COMPutation ARchive of Exact Diagonalization (COMPARED)

ISSP Activity Report 2021, p. 232…Read More

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Development of crystal structure prediction methods using machine learning

ISSP Activity Report 2021, p. 76-77…Read More

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Low Thermal Conductance Generated by van Der Waals Interaction

ISSP Activity Report 2021, p. 299-300…Read More

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Understanding superionic conductivity in disordered systems using machine learning potential molecular dynamics and Monte Carlo sampling

ISSP Activity Report 2021, p. 51-52…Read More

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Structural analysis of surface superstructures and atomic layer materials using by 2DMAT on supercomputer system at ISSP

ISSP Activity Report 2021, p. 299-300…Read More

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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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Confirmation of stress-overshoot phenomena under biaxial elongational flow of ring-linear mixtures

ISSP Activity Report 2020, p. 163-164…Read More

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Machine learning and ab initio analyses of cuprate high-temperature superconductors

ISSP Activity Report 2020, p. 184-186…Read More

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Development and applications of first principles method for light-matter interactions beyond the dipole approximation

ISSP Activity Report 2020, p. 111…Read More

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App Ranking

  • Crystallography Open Database(1→)
  • GSYS(2→)
  • VESTA(3→)
  • QUANTUM ESPRESSO(6↗)
  • Chem3D(5→)
  • RIETAN-FP(4↘)
  • ASM Alloy Phase Diagram Database(8↗)
  • OVITO(13↗)
  • CASINO(9→)
  • OpenMX(17↗)
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