Polymer Science & Engineering 797NS - ST-Elements/Numerical Simulatn

This coarse surveys three main methods for simulating or numerically modeling complex and polymeric materials: Monte Carlo simulation (MC), Molecular (and Brownian) Dynamics simulation (MD) and Self-Consistent Field Theory of polymer solutions and melts (SCFT). Rather than an exhaustive review of state-of-the-art in simulation methods, this coarse is aimed as an introduction to the basic principles underlying each method for students who may not be performing simulations themselves, but nonetheless would benefit from a more sophisticated understanding of the working details of these different approaches. In light of this goal, the coarse will focus on the theory and core algorithms of MC, MD and SCFT methods, as well as their relative merits and limitations.