2 papers
cs.LG2026
It's All Connected: Topology-Aware Structural Graph Encoding Improves Performance on Polymer Prediction
H. Ibrahim Erdogan, Punith Raviswamy, Nikita Agrawal +5
Graph Neural Networks (GNNs) have achieved strong results in molecular property prediction, but polymers present distinct challenges: labeled datasets are scarce and small (typical…
cond-mat.mtrl-sci2025
AI-Driven Discovery of High Performance Polymer Electrodes for Next-Generation Batteries
Subhash V. S. Ganti, Lukas Woelfel, Christopher Kuenneth
The use of transition group metals in electric batteries requires extensive usage of critical elements like lithium, cobalt and nickel, which poses significant environmental challe…