1. Background / Michael Kotelyanskii and Doros N. Theodorou

2. Rotational Isomeric State (RIS) Calculations, with an Illustrative Application to Head-to-Head, Tail-to-Tail Polypropylene / E. Demet Akten, Wayne L. Mattice and Ulrich W. Suter

3. Single Chain in Solution / Reinhard Hentschke

4. Polymer Models on the Lattice / K. Binder, J. Baschnagel and M. Muller

5. Simulations on the Completely Occupied Lattice / Tadeusz Pakula

6. Molecular Dynamics Simulations of Polymers / Vagelis A. Harmandaris and Vlasis G. Mavrantzas

7. Configurational Bias Techniques for Simulation of Complex Fluids / T. S. Jain and J. J. de Pablo

8. Molecular Simulations of Charged Polymers / Andrey V. Dobrynin

9. Gibbs Ensemble and Histogram Reweighting Grand Canonical Monte Carlo Methods / Athanassios Z. Panagiotopoulos

10. Gibbs Ensemble Molecular Dynamics / Michael Kotelyanskii and Reinhard Hentschke

11. Modeling of Polymer Crystals / Gregory C. Rutledge

12. Plastic Deformation of Bisphenol-A-Polycarbonate: Applying an Atomistic-Continuum Model / Jae Shick Yang, Won Ho Jo,
Serge Santos and Ulrich W. Suter

13. Polymer Melt Dynamics / Wolfgang Paul, Mark D. Ediger, Grant D. Smith and Do Y. Yoon

14. Sorption and Diffusion of Small Molecules Using Transition-State Theory / Michael L. Greenfield

15. Coarse-Graining Techniques / K. Binder, Wolfgang Paul, Serge Santos and Ulrich W. Suter

16. CONNFFESSIT: Simulating Polymer Flow / Manuel Laso and Hans Christian Ottinger

17. Simulation of Polymers by Dissipative Particle Dynamics / W. K. den Otter and J. H. R. Clarke

18. Dynamic Mean-Field DFT Approach for Morphology Development / A. V. Zvelindovsky, G. J. A. Sevink and J. G. E. M. Fraaije

This book focuses on the simulation of bulk amorphous polymers and their properties. It is intended to help students and research practitioners in academia and industry become active players in the fascinating and rapidly expanding field of modeling and simulation of polymeric materials.