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Ab initio phonon calculations for Ca5Ir3O12

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Study on physical properties of structural elementary excitations of semiconductor surfaces and interfaces

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First-principels study of anomalous thermoelectric effect on magnetic materials

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

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Determination of Scattering Length of Bose-Hubbard Model by Quantum Monte Carlo Simulations

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Development of open-source software HΦ

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Monte Carlo study of Ising model with non-integer effective dimensions

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Nonequilibrium superconductivity emerging from synergistic effects of light and phonons in strongly correlated systems

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Large-scale device-material research by massively parallel electronic structure calculation and data science

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Coarse grained MD simulation for fracture and reinforcement of polymer materials

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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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MateriApps
A Portal Site of Materials Science Simulation

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