New technology for energy storage is necessary for the large-scale adoption of renewable energy sources like wind and solar.
The Open Catalyst Project aims to apply advances in graph neural networks (GNNs) to accelerate progress in catalyst discovery.
This study evaluates lightweight approaches for catalyst discovery, making it more approachable for smaller teams and individuals from diverse backgrounds.
By implementing robust design patterns, a GNN model was trained with high accuracy in predicting per-atom forces of adsorbate-surface interactions.