Deep Learning-Based Generation of Lead-Free Organic–Inorganic Hybrid Halide Perovskite Materials Using Conditional Variational Autoencoders
Organic-inorganic hybrid perovskites (OIHP) are promising materials for photovoltaic applications. This study proposes a computational candidate-generation framework for discovering new lead-free OIHP compositions, targeting band-gap energy as the primary property, while volume per atom, atomization energy, and density...