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physics.comp-ph2025
ClusTEK: A grid clustering algorithm augmented with diffusion imputation and origin-constrained connected-component analysis: Application to polymer crystallization
Elyar Tourani, Brian J. Edwards, Bamin Khomami
Grid clustering algorithms are valued for their efficiency in large-scale data analysis but face persistent limitations: parameter sensitivity, loss of structural detail at coarse…
physics.comp-ph2025
Machine Learning Workflow for Analysis of High-Dimensional Order Parameter Space: A Case Study of Polymer Crystallization from Molecular Dynamics Simulations
Elyar Tourani, Brian J. Edwards, Bamin Khomami
Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (…