| Abstract Scope |
Materials, their surfaces, and interfaces are at the heart of modern technology, playing a central role in various fields such as biosensing, energy conversion, quantum computing, and nanoelectronics. Recent advancements in ab initio methods, data science, and artificial intelligence have dramatically expanded our ability to understand existing materials and discover new ones with greater ease, scope, and speed. In this invited talk, I will demonstrate how we have utilized a combination of ab initio simulations, high-throughput computations, and machine learning to discover and design materials for energy conversion. |