Transferable Machine Learning Interatomic Potential for Pd Catalyzed Cross-Coupling Reactions

Transferable Machine Learning Interatomic Potential for Pd Catalyzed Cross-Coupling Reactions.

Anstinea, D. M.; Zubatyuka, R.; Gallegos, L. C.; Paton, R. S.; Wiest, O.; Nebgen, B.; Jones, T.; Gomes, G.; Tretiak, S.; Isayev, O. ChemRxiv 2025, DOI: 10.26434/chemrxiv-2025-n36r6