Artificial Intelligence and Advanced Materials

Abstract Artificial intelligence (AI) is gaining strength, and materials science can both contribute to and profit from it. In a simultaneous progress race, new materials, systems, and processes can be devised and optimized thanks to machine learning (ML) techniques, and such progress can be turned into innovative computing platforms. Future materials scientists will profit from understanding how ML can boost the conception of advanced materials. This review covers aspects of computation from the fundamentals to directions taken and repercussions produced by computation to account for the origins, procedures, and applications of AI. ML and its methods are reviewed to provide basic knowledge of its implementation and its potential. The materials and systems used to implement AI with electric charges are finding serious competition from other information‐carrying and processing agents. The impact these techniques have on the inception of new advanced materials is so deep that a new paradigm is developing where implicit knowledge is being mined to conceive materials and systems for functions instead of finding applications to found materials. How far this trend can be carried is hard to fathom, as exemplified by the power to discover unheard of materials or physical laws buried in data.