An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions. - Rasha Atwi; Ying Chen; Keesung Han; Karl T. Mueller; Vijayakumar Murugesan; Nav Nidhi Rajput (Nat. Comput. Sci., 2022)

Guiding maps of solvents for lithium-sulfur batteries via a computational data-driven approach. - Rasha Atwi; Nav Nidhi Rajput (Patterns, 2023)