Atomic simulations Ab initio 1 Antisites 1 Bulk defects 1 Calculations 1 Charge state 1 Computation theory 1 Database systems 1 Defect density 1 Defect state 1 Defect states 1 Density functional theory 1 Density-functional theory calculations 1 Electronic properties 1 Electronic structure 1 Enhanced samplings 1 Entropy 1 First principles electronic structure 1 Free energy 1 Free energy landscape 1 Intrinsic point defects 1 Isomers 1 Metadynamics 1 Photoluminescence 1 Plants (botany) 1 Point defects 1 Quantum defects 1 Quantum point 1 Quantum theory 1 Silver 1