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Research Showcase

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First-principles prediction of stability and functionality of complex materials

ISSP Activity Report 2021, p. 45-46…Read More

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First-principles calculations of complex metallic alloy surfaces

ISSP Activity Report 2021, p. 137-138…Read More

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Calculation of photoelectron angle distribution in the photoexcitation process on the organic molecules adsorbed surface

ISSP Activity Report 2021, p. 143-144…Read More

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GW + BSE calculation of RIXS spectra by the all-electron mixed basis program, TOMBO

ISSP Activity Report 2021, p. 68…Read More

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Extension of susceptibilities, screened exchange and spin-fluctuation integrals into ultrasoft pseudopotentials

ISSP Activity Report 2021, p. 305-306…Read More

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First-principles study on atomic and electronic structures of graphene/SiC interfaces

ISSP Activity Report 2021, p. 64…Read More

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Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation

ISSP Activity Report 2021, p. 121-122…Read More

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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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App Ranking

  • Crystallography Open Database(1→)
  • VESTA(2→)
  • Materials Project(8↗)
  • OVITO(6↗)
  • QUANTUM ESPRESSO(4↘)
  • Avogadro(7↗)
  • Torch(8↗)
  • MatNavi(29↗)
  • XenonPy(5↘)
  • LOBSTER(9↘)
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