chapter 1 Background / chapter 2 Rotational Isomeric State (RIS) Calculations, with an Illustrative Application to Head-to-Head, Tail-to-Tail Polypropylene -- chapter 3 Single Chain in Solution / chapter 4 Polymer Models on the Lattice / chapter 5 Simulations on the Completely Occupied Lattice / chapter 6 Molecular Dynamics Simulations of Polymers / chapter 7 Configurational Bias Techniques for Simulation of Complex Fluids / chapter 8 Molecular Simulations of Charged Polymers / chapter 9 Gibbs Ensemble and Histogram Reweighting Grand Canonical Monte Carlo Methods -- chapter 10 Gibbs Ensemble Molecular Dynamics / chapter 11 Modeling of Polymer Crystals / chapter 12 Plastic Deformation of Bisphenol-A-Polycarbonate: Applying an Atomistic-Continuum Model -- chapter 13 Polymer Melt Dynamics / chapter 14 Sorption and Diffusion of Small Molecules Using Transition-State Theory / chapter 15 Coarse-Graining Techniques / chapter 16 CONNFFESSIT: Simulating Polymer Flow / chapter 17 Simulation of Polymers by Dissipative Particle Dynamics / chapter 18 Dynamic Mean-Field DFT Approach for Morphology Development