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of reversible polymer networks can be exploited for advanced manufacturing, while bringing their unique advantages, such as recyclability and self-healing to a wide range of applications. Despite many dynamic
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such as VASP, Quantum ESPRESSO, LAMMPS, GROMACS. • Machine-learned interatomic potentials. • Structure-property prediction using GNNs. • LLM fine-tuning and prompt engineering (e.g., HuggingFace, OpenAI
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