Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

Dive into a 51-minute talk exploring nanoscale structures and polymer modeling. Learn about the growing importance of polymer materials in academia and industry, from everyday plastics to cutting-edge biomaterials. Discover how computational simulations have become crucial for investigating polymer thermodynamics at the molecular level. Explore challenges in modeling polymer processing, particularly in describing dynamic evolution under various conditions that lead to macroscopic structural changes. Gain insights into atomic-level simulations for understanding polyacrylonitrile (PAN) crystal structures, and get introduced to an interactive Polymer Modeler tool available on nanoHUB. Topics covered include polymer science paradigms, polyethylene crystallization case studies, crystal structure generation techniques, and polymer stereoregularity. The talk concludes with a demonstration on generating rod-like PAN chains with trans-gauche conformations.