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...
Ge Sun, G. Zaldivar, Yuan Tian et al.· 0 citations
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.
