The project focuses on theory-assisted research to discover and enhance new materials, laying the groundwork for future technologies. It encompasses a multidisciplinary approach spanning physics, chemistry, material science, computer science (including AI), and innovation. The cycle begins with experimental study of the electronic band structure of targeted materials, followed by data analysis utilizing machine learning algorithms and open-access data publication, search for optimization parameters, modeling of new materials with optimized electronic structure, experimental validation of these materials alongside exploration for novel applications.

The project also entails the development of innovative devices leveraging the optimized electronic structures. An essential aspect of the project is fostering idea circulation, engaging young researchers in training initiatives, and promoting the popularization of scientific research.