doi: 10.1103/PhysRevE.69.056704.
Epub 2004 May 24.
Adaptive integration method for Monte Carlo simulations
Affiliations
- PMID: 15244974
- DOI: 10.1103/PhysRevE.69.056704
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Adaptive integration method for Monte Carlo simulations
Phys Rev E Stat Nonlin Soft Matter Phys.
2004 May.
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.
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