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computational-materials-engineering

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tilde-lab / awesome-materials-informatics

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Curated list of known efforts in materials informatics, i.e. in modern materials science

data-science awesome materials chemistry crystallography awesome-list crystal-structure materials-science ab-initio materials-informatics materials-platform phase-diagram phase-diagrams atomistic-simulations materials-discoveries materials-design materials-genome materials-data computational-materials computational-materials-engineering
  • Updated Jun 19, 2025

WangYiXu92 / LOPOSTER

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A LOBSTER's postprocessor that can automatically plot the output from Local-Orbital Basis Suite Towards Electronic-Structure Reconstruction (available via http://cohp.de/)

computational-chemistry computational-physics solid-state-physics lobster chemical-bonding postprocessor atomic-orbitals solid-state-chemistry condensed-matter-physics computational-materials-engineering computational-materials-science dft-calculations
  • Updated Jul 14, 2025

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