Machine learning to tame divergent density functional approximations: a new path to consensus materials design principles. - Chenru Duan; Shuxin Chen; Michael G. Taylor 004; Fang Liu; Heather J. Kulik (CoRR, 2021)

Deciphering Cryptic Behavior in Bimetallic Transition Metal Complexes with Machine Learning. - Michael G. Taylor 004; Aditya Nandy; Connie C. Lu; Heather J. Kulik (CoRR, 2021)

Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character Across Known Transition Metal Complex Ligands. - Chenru Duan; Adriana J. Ladera; Julian C.-L. Liu; Michael G. Taylor 004; Isuru R. Ariyarathna; Heather J. Kulik (CoRR, 2022)