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Research Showcase

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Fusion of computational material science and data-driven science with massively parallel computation

ISSP Activity Report 2020, p. 82-83…Read More

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Structure analysis of Sb/Bi heterostructure on Si(111) by Total-Reflect High-Energy Positron Diffraction with 2DMAT

ISSP Activity Report 2023, p. 332-333…Read More

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Equilibrium/nonequilibrium electrochemistry of disordered solid-state interfaces

ISSP Activity Report 2023, p. 81…Read More

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Two-dimensional structures for non-layered materials

ISSP Activity Report 2023, p. 128…Read More

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Study on Johari-Goldstein relaxation mode in glass-forming liquids

ISSP Activity Report 2023, p. 347…Read More

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Theoretical Study for Mixed-sequence Oligomer Salt Modeling Doped PEDOT Family

ISSP Activity Report 2023, p. 237…Read More

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HPC-based fusion of quantum simulation, experiment analysis and data-driven science

ISSP Activity Report 2023, p. 103…Read More

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Density functional theory calculations of H2O adsorption monolayer on a Pt(111) surface

ISSP Activity Report 2023, p. 15-22…Read More

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Analysis of ab initio Hamiltonians for molecular solid (TMTTF)2PF6 under pressure

ISSP Activity Report 2023, p. 217…Read More

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Physical origin of forming ferroelectric nematic phase

ISSP Activity Report 2023, p. 277…Read More

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App Ranking

  • Crystallography Open Database(1→)
  • ASM Alloy Phase Diagram Database(2→)
  • Bilbao Crystallographic Server(96↗)
  • VESTA(3↘)
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  • QUANTUM ESPRESSO(5↘)
  • GSAS-II(37↗)
  • Materials Project(23↗)
  • RIETAN-FP(9→)
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