title: Density of states-based molecular simulations.
abstract: One of the central problems in statistical mechanics is that of finding the density of states of a system. Knowledge of the density of states of a system is equivalent to knowledge of its fundamental equation, from which all thermodynamic quantities can be obtained. Over the past several years molecular simulations have made considerable strides in their ability to determine the density of states of complex fluids and materials. In this review we discuss some of the more promising approaches proposed in the recent literature along with their advantages and limitations.
authors.affiliation: Department of Chemical and Biological Engineering, University of Wisconsin, Madison, WI 53706, USA.
authors.forename: Sadanand
authors.initials: S
authors.lastname: Singh
authors.forename: Manan
authors.initials: M
authors.lastname: Chopra
authors.forename: Juan J
authors.initials: JJ
authors.lastname: de Pablo
mesh_terms: D000465:Algorithms; D000473:Alkanes / Q000737:chemistry; D045424:Complex Mixtures / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D013816:Thermodynamics
chemical_list: D000473:Alkanes; D045424:Complex Mixtures