OOPSE: An object-oriented parallel simulation engine for molecular dynamics. - Matthew A. Meineke; Charles F. Vardeman II; Teng Lin; Christopher J. Fennell; J. Daniel Gezelter (J. Comput. Chem., 2005)

OpenMD: A parallel molecular dynamics engine for complex systems and interfaces. - Cody R. Drisko; Hemanta Bhattarai; Christopher J. Fennell; Kelsey M. Stocker; Charles F. Vardeman II; J. Daniel Gezelter (J. Open Source Softw., 2024)

Thermal Transport through CTAB- and MTAB-Functionalized Gold Interfaces Using Molecular Dynamics Simulations. - Sydney A. Shavalier; J. Daniel Gezelter (J. Chem. Inf. Model., 2025)