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Porous organic cages (POCs) represent a notable category of porous materials, showing remarkable material properties due to their inherent porosity. Unlike extended frameworks which are constructed by strong covalent or coordination bonds, POCs are composed of discrete molecular units held together by weak intermolecular forces. Their structure and chemical traits can be systematically tailored, making them suitable for a range of applications including gas storage and separation, molecular separation and recognition, catalysis, and proton and ion conduction. This review provides a comprehensive overview of POCs, covering their synthesis methods, structure and properties, computational approaches, and applications, serving as a primer for those who are new to the domain. A special emphasis is placed on the growing role of computational methods, highlighting how advanced data-driven techniques and automation are increasingly aiding the rapid exploration and understanding of POCs. We conclude by addressing the prevailing challenges and future prospects in the field. [ABSTRACT FROM AUTHOR]

Supramolecular chemistry exploits weak, reversible interactions to form complex structures from simple components, which offers a solution for designing new ferroelectric materials. Organic ferroelectrics have been considered to be promising alternatives to conventional inorganic ferroelectrics due to their molecular mobility, flexibility and tunability of well-defined structures. However, ferroelectricity in organic solids remains underexplored, and the limited number of organic ferroelectrics with high performance hinders their practical applications. Therefore, the design of new organic ferroelectrics with promising ferroelectric properties is of great interest. In this perspective, we describe key material features and properties of organic ferroelectrics. Synthetic strategies and design principles are comprehensively reviewed. To further explore the possibility of organic ferroelectrics, we give our perspectives on the computational design and how to integrate computation and automation approaches for the accelerated discovery of organic ferroelectrics. Some of the challenges and opportunities in the field have been discussed. We hope this outlook can enable more research to accelerate the development of high-performance organic ferroelectrics. [ABSTRACT FROM AUTHOR]