In recent years, the research on nanocellulose composites with polymers has made significant contributions to the development of functional and sustainable materials. This review outlines the chemistry of the interaction between the nanocellulose and the polymer matrix, along with the extent of the reinforcement in their nanocomposites. In order to fabricate well-defined nanocomposites, the type of nanomaterial and the selection of the polymer matrix are always crucial from the viewpoint of polymer–filler compatibility for the desired reinforcement and specific application. In this review, recent articles on polymer/nanocellulose composites were taken into account to provide a clear understanding on how to use the surface functionalities of nanocellulose and to choose the polymer matrix in order to produce the nanocomposite. Here, we considered cellulose nanocrystal (CNC) and cellulose nanofiber (CNF) as the nanocellulosic materials. A brief discussion on their synthesis and properties was also incorporated. This review, overall, is a guide to help in designing polymer/nanocellulose composites through the utilization of nanocellulose properties and the selection of functional polymers, paving the way to specific polymer–filler interaction.