most citedManifold learning-based polynomial chaos expansions for high-dimensional surrogate models

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cond-mat.mtrl-sci2026

PolyGraphPy: A unified Python framework for atomistic simulation and machine learning-driven polymer design

João G. C. S. Duarte, Shruti Venkatram, Morgan Cencer +2

Polymers are indispensable materials with daily applications ranging from electronics to medicine, owing to their versatility, which can be tailored by adjusting their chemical com…