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cond-mat.mtrl-sci2026
First-Principles Atomistic Structure and Dynamics of Polyethylene During High-Pressure Radical Polymerization via Machine Learning Force Fields
Bharatha K. Gunawardana, Teresa Shah, Bicha Azizova +6
Polyethylene (PE) is one of the most commonly used synthetic polymers. While the synthesis and processing protocols for PE are well established, precise experimental assignment of…
cond-mat.mtrl-sci2025
pH Regulates Ion Dynamics in Carboxylated Mixed Conductors
Zeyuan Sun, Mengting Sun, Rajiv Giridharagopal +12
Coupled ionic and electronic transport underpins processes as diverse as electrochemical energy conversion, biological signaling, and soft adaptive electronics. Yet, how chemical e…