Non-conjugated redox-active polymers (NC-RAPs) in the dissolved state are important for future energy applications such as redox flow batteries. However, there remains a knowledge gap in understanding factors that strongly influence the redox kinetics and mechanisms of NC-RAPs. Here, we determine how concentration and...
Khirabdhi T. Mohanty, Sheila Keating, Kha Trinh et al.· Chemistry of Materials· 0 citations
Equivariant graph neural networks have emerged as foundational architectures for machine-learned interatomic potentials, approaching quantum-chemical accuracy at a fraction of the computational cost. These models describe local atomic environments accurately, but finite spatial cutoffs truncate long-range information f...
Jay L. Kaplan, Samuel Varner, Rebecca Willett et al.· 0 citations
Conventional covalent and supramolecular crosslinks impose inherent trade-offs between mechanical robustness and environmental adaptability in polymer networks. Mechanically interlocked junctions offer an alternative route by enabling topological motion without compromising structural integrity. Here, a modular approac...
HiPoly is introduced, a polymer-native AI framework that processes complete polymer descriptions through a three-level hierarchical graph architecture built on the G2RINS representation, demonstrating how polymer-native AI can accelerate discovery by linking representation, prediction, and design across complex polymer...
Cooperative dynamics in soft materials such as colloidal suspensions, gels, and polymers stem from complex surface interactions and structural heterogeneities, driving behaviors such as yielding, failure, and avalanches. In X-ray photon correlation spectroscopy (XPCS), these dynamics manifest as localized decorrelation...
Hong He, Yuan Tian, Heyi Liang et al.· Soft Matter· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.
