Chalcogenides challenge materials artificial intelligence (AI) because their properties depend on defects, disorder, metastability, interfaces, processing history, and operating conditions, as well as composition and structure. This review examines A...
Zentropy theory has emerged as a multiscale thermodynamic framework that bridges quantum mechanics, statistical mechanics, and macroscopic materials behavior by embedding internal degrees of freedom within configurational ensembles. This review summa...
Artificial intelligence (AI), particularly deep learning (DL), is revolutionizing optical metamaterial design by overcoming the fundamental challenges of multidimensional parameter spaces, nonlinear structure–property relationships, and the int...
Due to their unique structures, intriguing electronic properties, and potential applications across various fields, Janus materials have attracted extensive attention from the science community. However, the thermal transport properties of Janus syst...
The representation of electronic wavefunctions in real space grids, which are directly related to molecular orbitals and electronic densities either in molecular or crystalline systems, is a fundamental part of many studies at ab initio levels, since...
Additive manufacturing (AM) of polymers and polymer composites is changing how customized, lightweight, and complex parts are produced across various industries. However, predicting the final properties of printed parts remains challenging due to var...
We stand at a transformative moment in scientific history, where artificial intelligence and materials science are engaged in a mutually reinforcing cycle of advancement [...]
