Nine manuscripts were published in this Special Issue on "Theoretical and Computational Research in Various Scheduling Models, 2021" of the MDPI Mathematics journal, covering a wide range of topics connected to the theory and applications of various scheduling models and their extensions/generalizations. These topics include a road network maintenance project, cost reduction of the subcontracted resources, a variant of the relocation problem, a network of activities with generally distributed durations through a Markov chain, idea on how to improve the return loading rate problem by integrating the sub-tour reversal approach with the method of the theory of constraints, an extended solution method for optimizing the bi-objective no-idle permutation flowshop scheduling problem, the burn-in (B/I) procedure, the Pareto-scheduling problem with two competing agents, and three preemptive Pareto-scheduling problems with two competing agents, among others. We hope that the book will be of interest to those working in the area of various scheduling problems and provide a bridge to facilitate the interaction between researchers and practitioners in scheduling questions. Although discrete mathematics is a common method to solve scheduling problems, the further development of this method is limited due to the lack of general principles, which poses a major challenge in this research field.