Research interests of Hsiao-Ping Hsu

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My research explores the fundamental polymer physics, statistical mechanics, and rheological properties of macromolecular systems across multiple length and time scales under both equilibrium and non-equilibrium conditions. Employing advanced Monte Carlo (MC) algorithms (such as the Pruned-Enriched Rosenbluth Method - PERM) and large-scale Molecular Dynamics (MD) simulations using the package ESPResSo++, we study thermodynamic scaling laws and phase transitions (such as the coil-globule and adsorption transitions) of single semiflexible and complex branched polymer chains in confinement, as well as the dynamics of polymer chains in equilibrated polymer melts predicted by the Rouse model and reptation theory. Furthermore, we investigate the non-linear viscoelastic responses, chain retraction, and glass transition behaviors (Tg) of highly entangled polymer melts, revealing that topological constraints in highly strained melts lead to a strong retardation of conformational relaxation. We also focus on developing optimized coarse-grained models, efficient equilibration algorithms, and methodologies for analyzing entanglement effects and glass transition covering the range from large single chain systems to highly entangled bulk polymer melt systems and (ultra-)thin polymer films. Finally, we explore how these entanglements can be leveraged to create new materials, demonstrating a purely physical route to produce free-standing, entanglement-stabilized nanoporous polymer films through mechanical deformation and a subsequent cooling below Tg. Below is the comprehensive list of systems investigated throughout these studies.

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