Multiblock copolymers represent a fascinating class of materials that sits at the very heart of
industrial applications and fundamental polymer science. They are most often made of a …

Shape-memory polyurethanes (SMPUs) are smart semi-crystalline polymers with heat-
induced shape memory. The segmented SMPU copolymer simulated in this study consisted …

We present a reactive coarse-grained model that can more accurately simulate the interplay
between step-growth polymerization and phase segregation in elastomeric copolymers such …

Shape-memory polyurethanes (SMPUs) are promising materials that change shape in
response to external heat. These polymers have a dual-segment structure: a hard segment …

We present a coarse-grained model for molecular dynamics simulations of an epoxy system
composed of epoxy phenol novolac as epoxy monomer and bisphenol-A as the cross …

We present a structure–matching coarse–grained model of polyurea, similar to united atom
models, in which hydrogen atoms are implicitly represented. The model was trained using …

Thermoplastic polyurethanes (TPU) are block copolymeric materials composed of
plastomeric “hard” and elastomeric “soft” domains, by which they exhibit highly resilient yet …

Supramolecular polymers are fascinating materials due to their strikingly self-healing
capabilities empowered by reversible bonds. However, due to the lack of knowledge about …

Polyurethane (PU) has an excellent mechanical property due to its unique microphase
separated structure, but the molecular mechanism is still unclear. In this work, a multiscale …

To relate the mechanical responses of hard–soft copolymer systems with their
microstructures, a coarse‐grained molecular dynamics approach is employed, and …