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  1. 1
    Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations
    “... and optical signatures in particular is crucial. Here, we employ quantum mechanical density functional theory...”
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  2. 2
    Efficient calculation of the lattice thermal conductivity by atomistic simulations with ab initio accuracy
    “... surface relevant to vibrational motion. They can be efficiently parametrized using quantum mechanical...”
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