Effects of Defects and Presence of Open-Metal Sites on the Structure and Dynamics of Water in Hydrophobic Zeolitic Imidazolate Frameworks. - Yuliang Shi; Dil K. Limbu; Zeyu Zhang; Mohammad R. Momeni; Farnaz A. Shakib (J. Chem. Inf. Model., 2023)

SHARP pack: A modular software for incorporating nuclear quantum effects into non-adiabatic dynamics simulations. - Dil K. Limbu; Farnaz A. Shakib (Softw. Impacts, 2024)