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Papers using Bader Charge Analysis

W. Tang, E. Sanville, and G. Henkelman A grid-based Bader analysis algorithm without lattice bias, J. Phys.: C…Read More

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First-principles calculations of magnetic ultrathin films on surfaces

Activity Report 2017…Read More

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Coarse grained MD simulation for fracture and reinforcement of polymer materials

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

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

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

ISSP Activity report 2017…Read More

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Development of open-source software HΦ

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

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

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First-principels study of anomalous thermoelectric effect on magnetic materials

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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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MateriApps
A Portal Site of Materials Science Simulation

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