@article{machinelearningmodelspredictcalculation, title = {Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis}, author = {Chenru Duan and Aditya Nandy and Husain Adamji and Yuriy Roman-Leshkov and Heather J. Kulik}, year = {2022}, eprint = {2203.01276}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2203.01276v1}, }