ab-initio computational-chemistry computational-materials-science defect-calculation defect-formation-energy defect-levels defect-thermodynamics defects dft doping fermi-level point-defects pymatgen semiconductors shakenbreak transition-levels vasp

defects electronic-structure materials-design semiconductors solar-cells

defects density-functional-theory materials-science quantum-information spin

Chemistry

ab-initio band-structure-unfolding computational-chemistry computational-materials-science defects dft disorder electronic-structure symmetry-breaking unfolding vasp

ab-initio aiida all-electron band-structure coherent-potential-approximation computational-materials-science condensed-matter-physics defects density-functional-theory electronic-structure forschungszentrum-juelich full-potential greens-functions high-throughput judft kkr magnetism multiple-scattering superconductivity workflow

analysis c clang clang-tidy codechecker cpp database defects docker linux llvm macosx objective-c results-viewer static-analysis static-analyzer static-analyzers vue

defects materials-science physics python3

apple dataset dataset-apples-images dataset-mangoes-images defects external images inspection mango quality