Machine Learning State-of-the-Art with Uncertainties. - Peter Steinbach; Felicita Gernhardt; Mahnoor Tanveer; Steve Schmerler; Sebastian Starke (CoRR, 2022)

Scripts and Models for "Predicting electronic structures at any length scale with machine learning". - Lenz Fiedler; Steve Schmerler; Normand A. Modine; Dayton J. Vogel; Gabriel A. Popoola; Aidan P. Thompson; Sivasankaran Rajamanickam; Attila Cangi (RODARE, 2022)

The Artificial Scientist: in-Transit Machine Learning of Plasma Simulations. - Jeffrey Kelling; Vicente Bolea; Michael Bussmann; Ankush Checkervarty; Alexander Debus; Jan Ebert; Greg Eisenhauer; Vineeth Gutta; Stefan Kesselheim; Scott Klasky; Vedhas Pandit; Richard Pausch; et al. (IPDPS, 2025)

Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations. - Attila Cangi; Lenz Fiedler; Bartosz Brzoza; Karan Shah 001; Timothy J. Callow; Daniel Kotik; Steve Schmerler; Matthew C. Barry; James M. Goff; Andrew Rohskopf; Dayton J. Vogel; Normand A. Modine; et al. (Comput. Phys. Commun., 2025)

The Artificial Scientist - in-transit Machine Learning of Plasma Simulations. - Jeffrey Kelling; Vicente Bolea; Michael Bussmann; Ankush Checkervarty; Alexander Debus; Jan Ebert; Greg Eisenhauer; Vineeth Gutta; Stefan Kesselheim; Scott Klasky; Richard Pausch; Norbert Podhorszki; et al. (CoRR, 2025)