Two Wrongs Can Make a Right: A Transfer Learning Approach for Chemical Discovery with Chemical Accuracy. - Chenru Duan; Daniel B. K. Chu; Aditya Nandy; Heather J. Kulik (CoRR, 2022)

Many-body Expansion Based Machine Learning Models for Octahedral Transition Metal Complexes. - Ralf Meyer; Daniel B. K. Chu; Heather J. Kulik (CoRR, 2024)

Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery. - Daniel B. K. Chu; David A. González-Narváez; Ralf Meyer; Aditya Nandy; Heather J. Kulik (J. Chem. Inf. Model., 2024)