Feature vectorization of microphase-separated structures in polymeric materials using dissipative particle dynamics and persistent homology for machine learning applications
Y. Higashi, Koji Okuwaki, Yuji Mochizuki, Tsuyohiko Fujigaya, Koichiro Kato · Digital Discovery · 2025
Persistent homology-based feature extraction of DPD-generated microphase-separated structures enables low-dimensional mapping of polymer membranes, offering a novel informatics-guided strategy for screening proton-conductive materials.