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Structure and Properties of Rare-Earth/Transition Metal Alloys and Perovskite Materials. Permanent magnetic materials composed of rare-earth (RE) and transition-metal (TM) elements are technologically important due to their applications in health,   communication, and energy areas. In this presentation, we will discuss structure and properties of novel rare-earth magnets, R₂Co₁₇ (R=Ce, Sm and their derivatives), RMn₂ (R=Tb, Y and Ho), and MnBi with defects. In second part of talk, we will discuss organic-inorganic hybrid lead halide perovskite solar cells which have been shown to have with higher power conversion efficiency (PCE) of 20.1%. Electronic structure calculations based on density functional theory find that the structural, optical and electronic properties of these perovskites can be tuned either by partially/completely replacing halide anion (X) or organic ligand.