Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery. - Daniel R. Harper; Aditya Nandy; Naveen Arunachalam; Chenru Duan; Jon Paul Janet; Heather J. Kulik (CoRR, 2021)

MOFSimplify: Machine Learning Models with Extracted Stability Data of Three Thousand Metal-Organic Frameworks. - Aditya Nandy; Gianmarco Terrones; Naveen Arunachalam; Chenru Duan; David W. Kastner; Heather J. Kulik (CoRR, 2021)

A transferable recommender approach for selecting the best density functional approximations in chemical discovery. - Chenru Duan; Aditya Nandy; Ralf Meyer; Naveen Arunachalam; Heather J. Kulik (Nat. Comput. Sci., 2023)