Gas-Conditioned Message Passing Graph Neural Network for Permeability Prediction in Polymeric Membranes
Designing polymeric membranes for diverse gas-separation applications remains a critical challenge. Machine learning (ML) models can significantly accelerate this effort by capturing complex relationships between polymer-gas pairs and enabling permeability prediction over an extended chemical space of gases and polymer...
Krishnendu Mukherjee, Zidan Zhang, Mohammed Alshammasi et al.
· ChemRxiv · 0 citations