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between gases and polymers. Additionally, electronic structure calculations, though rather accurate, are too resource-intensive for large-scale simulations over extended periods. To address these challenges
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the simulation results. This work builds on our previous research on crosslinking at the substrate/polymer interface: Suzanne Morsch, Yanwen Liu, Kieran Harris, Flor R. Siperstein, Claudio Di Lullo, Peter Visser