
Lightweight geometric deep learning models can achieve comparable performance to large state-of-the-art models in predicting per-atom forces during adsorbate-surface interactions, enabling more accessible catalyst discovery.


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lightweight-geometric-deep-learning-models-for-predicting-adsorbate-surface-interactions-in-catalyst-discovery


Lightweight Geometric Deep Learning Models for Predicting Adsorbate-Surface Interactions in Catalyst Discovery
