Siqi’s first-authored paper was accepted by NeurIPS 2024 AI4Mat Workshop as a Spotlight Talk!

Siqi’s first-authored paper, “Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces”, has been accepted by NeurIPS 2024 AI4Mat Workshop as a Spotlight Talk! In this paper, Siqi and coworkers from our team presented a new version of the many-body expansion theory that integrates a fragment-based graph neural network, namely FBGNN-MBE. You are welcome to read the paper here: https://openreview.net/forum?id=ra3CxVuhUf