Practical Applications

These examples are from simulations that have been performed by Packmol users. We encourage users to report examples for this page. Send an one-line description of your system, a picture, your name, and work references to leandromartinez98@gmail.com and your example will be included in this list.

	DMSO solutions for studying cryoprotection. Courtesy of Jestin Mandumpal. See: J. B. Mandunpal, C. Kreck, R. L. Mancera, "A molecular mechanism of solvent cryoprotection in aqueous DMSO solutions". Phys. Chem. Chem. Phys. 13, 3839-3842 (2011).
	Polyoxyethylene with ions. Courtesy of Luciano T. Costa See: L. T. Costa, M. C. C. Ribeiro, "Molecular dynamics simulation of polymer electrolytes based on poly(ethylene oxide) and ionic liquids. I. Structural properties", J. Chem. Phys. 124, 184902 (2006).
	Coumarin in an interface of water and zirconia. Courtesy of L. R. Martins. See: L. R. Martins, M. S. Skaf and B. M. Ladanyi, "Solvation Dynamics at the Water/Zirconia Interface: Molecular Dynamics Simulations", J. Phys. Chem. B 108 (51) 19687-19697, 2004.
	Interface of water and chloroform. Courtesy of N. H. Moreira. See: N. H. Moreira and M. S. Skaf, "Structural characterization of the H2O/CCl4 liquid interface using molecular dynamics simulations", Prog. Coll. Pol. Sci. 128, p. 81, 2004.
	Coumarin, water and sodium ions encapsulated in a zeolite. Courtesy of L. R. Martins.
	DNA double strand solvated by water and sodium ions. Courtesy of M. T. Sonoda.
	Supercritical carbon dioxide solvating caffeine. Courtesy of F. W. Favero.