<p>Curcumin, a polyphenolic compound from <i>Curcuma longa</i>, has many biological effects, including antioxidant, anti-inflammatory, anticancer, and neuroprotective properties. However, its use in food, pharmaceutical, and biomedical systems is limited owing to poor water solubility, chemical instability, fast metabolism, and very low oral bioavailability. To address these issues, various formulation strategies have been created. Microencapsulation is one of the most effective methods for improving the stability, bioaccessibility, and controlled release of curcumin. At the same time, computational tools such as molecular docking and molecular dynamics simulations have become more important for understanding curcumin–carrier interactions and predicting formulation stability at the molecular level. Although both experimental encapsulation techniques and in silico modeling are well-established, research in these areas often occurs separately, leading to fragmented understanding of curcumin delivery systems. This review offers a detailed analysis of curcumin research by connecting its physicochemical properties and degradation pathways with microencapsulation strategies and computational modeling. Key encapsulation techniques such as spray drying, ionotropic gelation, complex coacervation, and nanostructured delivery systems are examined in terms of their mechanisms, benefits, drawbacks, and uses. Additionally, recent progress in molecular docking and molecular dynamics simulations is discussed to emphasize their growing role in helping choose carriers and design formulations. By linking formulation science with predictions at the molecular level, this review presents a framework to promote the development of effective, stable, and bioavailable curcumin-based delivery systems for food, pharmaceutical, and biomedical purposes.</p>