Modeling dilute solutions using first-principles molecular dynamics: computing more than a million atoms with over a million cores. - Jean-Luc Fattebert; Daniel Osei-Kuffuor; Erik W. Draeger; Tadashi Ogitsu; William D. Krauss (SC, 2016)

Defect graph neural networks for materials discovery in high-temperature clean-energy applications. - Matthew D. Witman; Anuj Goyal; Tadashi Ogitsu; Anthony H. McDaniel; Stephan Lany (Nat. Comput. Sci., 2023)