Artificial intelligence is reshaping research to discover new materials for a range of important applications. In this episode, meet Anubhav Jain of Lawrence Berkeley National Laboratory, a researcher who has been at the forefront of this transition. He uses machine learning and other computational tools as a materials scientist to discover compounds that could store and convert energy and solve other societal problems. Anubhav’s current research path started in graduate school at MIT, where he was supported by a Department of Energy Computational Science Graduate Fellowship. We discuss how computational tools including AI have moved from a novel idea to a central piece of materials discovery, how he applies machine learning tools to other tasks such as mining data from scientific papers, and the rewards that came from writing his blog called Hacking Materials. This episode concludes our season 4 series on creativity in computing.