<p>In order to achieve a transition to a circular economy (CE) there must be a restructuring in how materials are designed, controlled, manufactured, and managed throughout their lifecycle. This review paper explores the application of multiscale and multiphysics modelling techniques to design materials that support circularity through approaches such as reuse, recyclability, durability, and upcycling integrated with material design strategies. It also describes a system level methodology of multiscale modelling that combines atomistic, mesoscopic, and continuum scales with the interplay of thermal, mechanical, and chemical processes. A bibliometric review of publications between 2018 and 2025 indicated a twofold peak, with a sharp upward trend. The most rapid growth has been observed 2021 and most rapid peak growth in 2025. This suggests there is great reception by the global academic community to the principles of sustainability to be integrated into their designs and materials are now being recognized as primary facilitators to enable circularity. Moving forward the integration of digital twins, real-time assessment tools and artificial intelligence (AI)-driven modelling which may allow predictive monitoring and autonomous design optimization will become inevitable. The paper takes into account bridging gaps between modelling and experimentation and developing policies that incentivize industrial adoption. This will accelerate the development of smart and recyclable materials for autonomous material design.</p>