@article {16, title = {Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models}, journal = {J. Chem. Theory Comput.}, volume = {15}, year = {2019}, pages = {2331}, chapter = {2331}, doi = {https://doi.org/10.1021/acs.jctc.9b00057}, url = {https://pubs.acs.org/doi/abs/10.1021/acs.jctc.9b00057}, author = {Duan, Chenru and Janet, Jon Paul and Liu, Fang and Nandy, Aditya and Kulik, Heather J} }