Multi-task learning for electronic structure to predict and explore molecular potential energy surfacesZhuoran Qiao, Thomas F. Miller, Feizhi Ding et al.|arXiv (Cornell University)|2020Cited by 9
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracyAnders S. Christensen, Thomas F. Miller, Matthew Welborn et al.|The Journal of Chemical Physics|2021Cited by 7
OrbNet-Equi: Informing geometric deep learning with electronic interactions to accelerate quantum chemistryZhuoran Qiao, Thomas F. Miller, Anders S. Christensen et al.|Zenodo (CERN European Organization for Nuclear Research)|2022Cited by 1
OrbNet Denali Training DataAnders S. Christensen, Thomas F. Miller, Sai Krishna Sirumalla et al.|Figshare|2021Cited by 1
OrbNet-Equi: Informing geometric deep learning with electronic interactions to accelerate quantum chemistryZhuoran Qiao, Thomas F. Miller, Anders S. Christensen et al.|Zenodo (CERN European Organization for Nuclear Research)|2022Cited by 1