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Artificial Intelligence-Powered Materials Science

Xiaopeng Bai, Xingcai Zhang

2025Nano-Micro Letters82 citationsDOIOpen Access PDF

Abstract

The advancement of materials has played a pivotal role in the advancement of human civilization, and the emergence of artificial intelligence (AI)-empowered materials science heralds a new era with substantial potential to tackle the escalating challenges related to energy, environment, and biomedical concerns in a sustainable manner. The exploration and development of sustainable materials are poised to assume a critical role in attaining technologically advanced solutions that are environmentally friendly, energy-efficient, and conducive to human well-being. This review provides a comprehensive overview of the current scholarly progress in artificial intelligence-powered materials science and its cutting-edge applications. We anticipate that AI technology will be extensively utilized in material research and development, thereby expediting the growth and implementation of novel materials. AI will serve as a catalyst for materials innovation, and in turn, advancements in materials innovation will further enhance the capabilities of AI and AI-powered materials science. Through the synergistic collaboration between AI and materials science, we stand to realize a future propelled by advanced AI-powered materials.

Topics & Concepts

ExpeditingNanotechnologyApplications of artificial intelligenceEnvironmentally friendlyComputer scienceEngineering ethicsEngineeringSystems engineeringArtificial intelligenceMaterials scienceEcologyBiologyMachine Learning in Materials ScienceElectronic and Structural Properties of OxidesFerroelectric and Negative Capacitance Devices