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Research Showcase

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Electronic structure of light rare earth permanent magnets

Saturation magnetic polarization of the system plotted against the lattice constant and the fictitious atomic …Read More

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First-principles study of ionization and diffusion of metal atoms at metal/solid interfaces in electric fields

ISSP Activity Report 2017…Read More

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Numerical study on interplay between stripes and electron-phonon interactions in the Hubbard model

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Design of organic structure-directing agents for the synthesis of zeolites with controlled active sites

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

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Rotational dynamics in [Cnmim][PF6] ionic liquids

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Development of High-performance Perfluoro Polymer Electret

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

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Lectures on Computational Material Science using MateriAppsLive! and OpenMX

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Large-Scale Molecular Structure Calculation Based on MP2 Method (Wave Functional Theory that Includes Electron Correlation) with DC

One of the most commonly used methods for calculating the electronic state of molecules and solids is the dens…Read More

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App Ranking

  • Crystallography Open Database(1→)
  • ASM Alloy Phase Diagram Database(2→)
  • VESTA(4↗)
  • Bilbao Crystallographic Server(3↘)
  • PolyParGen(15↗)
  • CASINO(14↗)
  • ALAMODE(13↗)
  • FermiSurfer(11↗)
  • OVITO(16↗)
  • Materials Project(7↘)
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MateriApps
A Portal Site of Materials Science Simulation

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