Manjodh Kaur1, Princy Randhawa2,*, Jitendra Jaiswal2, Deepak Dubal3, Ravindra N. Bulakhe4,5, Deepanraj Balakrishnan6, Nithesh Naik7,*
CMC-Computers, Materials & Continua, Vol.88, No.2, 2026, DOI:10.32604/cmc.2026.079503
- 15 June 2026
Abstract This review emphasizes the growing role of artificial intelligence (AI) in transforming the materials discovery process into a data-driven and autonomous approach. It systematically traces the evolution of scientific paradigms in materials science and examines how machine learning, generative models, and AI agents are revolutionizing the design, screening, and optimization of materials. A key contribution is a detailed, step-by-step machine learning framework that guides researchers through data collection, preprocessing, feature engineering, model development, and validation, utilizing publicly available materials databases and computational tools. Additionally, the review discusses the latest advances in generative AI and autonomous More >