integrating AI into polymer physics education is necessary. Undergraduate courses should adopt evidence-centered design to build data literacy and cross-disciplinary skills. We implemented a project-based module on AI-assisted rational design of soft matter in an undergraduate early-stage course. The module is organized around case
properties
model
and validation
and establishes a reproducible workflow that combines molecular simulation with machine learning. Using charge-sequence effects in polyelectrolytes as the case study
students ran simulations to obtain radial distribution functions
radius of gyration
and end-to-end distance. They then trained baseline models and deep neural networks to predict properties and compare methods. The outcomes show that students completed the full loop from modeling to evaluation
improved the clarity of evidence presentation
and adopted a data-driven analytic approach. The module helped students grasp core concepts in polymer physics
gain hands-on experience with simulation tools
and develop habits that support data-driven research.
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references
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