Work

Density of States–Based Molecular Simulations

Year: 2012
Type: review
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: Sadanand Singh, Manan Chopra, Juan J. de Pablo
Language: English
Field: Chemistry
Open Access status: green
OpenAlex ID: W2146130865
FWCI: 0.512
Cites: 131
Cited by: 102
Related to: 10