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A Portal Site of Materials Science Simulation

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Research Showcase

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

Activity Report 2017…Read More

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

Activity Report 2017…Read More

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Coarse grained MD simulation for fracture and reinforcement of polymer materials

Activity Report 2017…Read More

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First-principles calculations of magnetic ultrathin films on surfaces

Activity Report 2017…Read More

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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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Publications using almaBTE

http://www.almabte.eu/index.php/publications/…Read More

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Large-Scale First-Principles Calculations of the Interfacial Microstructure of Magnetic Materials Using OpenMX Running on the K Computer

There is a great social demand for the development and enhancement of permanent magnet materials that minimize…Read More

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Lectures on Computational Material Science using MateriAppsLive! and OpenMX

 …Read More

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Paper for ALF

Martin Bercx, Florian Goth, Johannes S. Hofmann, Fakher F. Assaad, SciPost Phys. 3, 013 (2017); arXiv:1704.001…Read More

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App Ranking

  • Crystallography Open Database(1→)
  • ASM Alloy Phase Diagram Database(2→)
  • Bilbao Crystallographic Server(96↗)
  • VESTA(3↘)
  • LOBSTER(10↗)
  • QUANTUM ESPRESSO(5↘)
  • GSAS-II(37↗)
  • Materials Project(23↗)
  • RIETAN-FP(9→)
  • FermiSurfer(11↗)
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MateriApps
A Portal Site of Materials Science Simulation

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