“Today we face several global challenges such as climate change, food and water scarcity, and global health pandemics. A major bottleneck to enabling next-generation technologies is the lack of efficient discovery tools for advanced functional materials that are synthesizable and practically usable. This inefficiency often results from the overwhelmingly large space of candidate materials and their processing conditions, which are sparsely observed. Conventional trial-and-error-based search approaches are frequently biased by our chemical intuition and tend to identify new materials similar to those already known to perform well, potentially leading to the discovery of suboptimal materials. As a result, my research focuses on developing computational materials discovery and multi-scale material modeling techniques to accelerate “out-of-the-box” discovery and innovation. I am currently focused on the design of metal halide perovskites, which is a promising class to materials for solar cell applications. The performance of materials is highly sensitive to the composition and processing conditions that the material undergoes. My work is aimed at finding the optimal compositions and processing conditions to achieve high-performing and long-lasting solar cell devices”.