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

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 FB-GNN-MBE. You are welcome to read the paper online and the newsletter from the UMass Department of Chemical Engineering.