| Literature DB >> 15244974 |
Marc Fasnacht1, Robert H Swendsen, John M Rosenberg.
Abstract
We present an adaptive sampling method for computing free energies, radial distribution functions, and potentials of mean force. The method is characterized by simplicity and accuracy, with the added advantage that the data are obtained in terms of quasicontinuous functions. The method is illustrated and tested with simulations on a high density fluid, including a stringent consistency test involving an unusual thermodynamic cycle that highlights its advantages.Mesh:
Year: 2004 PMID: 15244974 DOI: 10.1103/PhysRevE.69.056704
Source DB: PubMed Journal: Phys Rev E Stat Nonlin Soft Matter Phys ISSN: 1539-3755