Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles. - Matthew J. McGrath; J. Ilja Siepmann; I-Feng W. Kuo; Christopher J. Mundy; Joost VandeVondele; Michiel Sprik; Jürg Hutter; Fawzi Mohamed; Matthias Krack; Michele Parrinello (Comput. Phys. Commun., 2005)

Web-Based Visualization of Atmospheric Nucleation Processes Using Java3D. - Rui Ding; Jinzhu Gao; Bin Chen; J. Ilja Siepmann; Yi Liu (CCGRID, 2009)

Adsorption of furan, hexanoic acid, and alkanes in a hierarchical zeolite at reaction conditions: Insights from molecular simulations. - Tyler R. Josephson; Paul J. Dauenhauer; Michael Tsapatsis; J. Ilja Siepmann (J. Comput. Sci., 2021)