- Group Name:
- Project B06: Topological validation of coarse-grained polymer models
- URL Slug:
- project-b06-topological-validation-of-coarse-grained-polymer-models
- Description:
- Computational studies of polymer-based materials on large length and time scales require mesoscopic models: drastically coarse-grained descriptions where non-bonded potentials between interacting particles are on the order of the thermal energy. Such “soft” models are either used as “stand alone” descriptions or as elements of strategies, where the microscopic description of the material is recovered through sequential backmapping in a hierarchy of mesoscopic models. In the previous funding period, we focused on using single-chain topology ─ polymer knots ─ to validate mesoscopic models and hierarchical backmapping schemes for bulk high-molecular-weight polymer melts.
- Parent Group: