Adaptive integration method for Monte Carlo simulations

被引：36

作者：

Fasnacht, M

Swendsen, RH

Rosenberg, JM

机构：

[1] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA

[2] Univ Pittsburgh, Dept Biol Sci, Pittsburgh, PA 15213 USA

来源：

PHYSICAL REVIEW E | 2004年 / 69卷 / 05期

关键词：

D O I：

10.1103/PhysRevE.69.056704

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

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.

引用

页数：15

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