TY - RPRT TI - A graph neural network-state predictive information bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics AU - Zou, Ziyue AU - Wang, Dedi AU - Tiwary, Pratyush PY - 2024 DO - 10.1039/d4dd00315b UR - https://www.osti.gov/biblio/2500908 ID - 2500908 ER -