MULTIBODY INTERACTIONS IN COARSE-GRAINING SCHEMES FOR EXTENDED SYSTEMS

被引:11
|
作者
Are, Sasanka [1 ]
Katsoulakis, Markos A. [1 ]
Plechac, Petr [2 ]
Rey-Bellet, Luc [1 ]
机构
[1] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA
[2] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA
来源
SIAM JOURNAL ON SCIENTIFIC COMPUTING | 2008年 / 31卷 / 02期
基金
美国国家科学基金会;
关键词
coarse-graining; relative entropy; lattice spin systems; Monte Carlo method; Gibbs measure; cluster expansion; multibody interactions; renormalization group map;
D O I
10.1137/080713276
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
In this paper we address the role of multibody interactions for the coarse- grained approximation of stochastic lattice systems. Such interaction potentials are often not included in coarse-graining schemes, as they can be computationally expensive. The multibody interactions are obtained from the error expansion of the reference measure which is, in many cases, chosen as a Gibbs measure corresponding to a local mean-field approximation. We identify the parameter is an element of that characterizes the level of approximation and its relation to the underlying interaction potential. The error analysis suggests strategies to overcome the computational costs due to evaluations of multibody interactions by additional approximation steps with controlled errors. We present numerical examples demonstrating that the inclusion of multibody interactions shows substantial improvement in dynamical simulations, e. g., of rare events and metastability in phase transitions regimes.
引用
收藏
页码:987 / 1015
页数:29
相关论文
共 50 条
  • [21] THE MULTISCALE COARSE-GRAINING METHOD
    Lu, Lanyuan
    Voth, Gregory A.
    ADVANCES IN CHEMICAL PHYSICS, VOL 149, 2012, 149 : 47 - 81
  • [22] On Mobius Duality and Coarse-Graining
    Huillet, Thierry
    Martinez, Servet
    JOURNAL OF THEORETICAL PROBABILITY, 2016, 29 (01) : 143 - 179
  • [23] Systematic coarse-graining for thermodynamic properties and inhomogeneous systems
    Noid, William
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
  • [24] Coarse-graining description of solid systems at nonzero temperature
    Wu, ZB
    Diestler, DJ
    Feng, R
    Zeng, XC
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (15): : 8013 - 8023
  • [25] Coarse-graining in quantum mechanics
    Voth, Gregory A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [26] Coarse-Graining and the Blackwell Order
    Rauh, Johannes
    Banerjee, Pradeep Kr.
    Olbrich, Eckehard
    Jost, Juergen
    Bertschinger, Nils
    Wolpert, David
    ENTROPY, 2017, 19 (10):
  • [27] Coarse-graining and multiscale modeling
    Guenza, Marina
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [28] Coarse-graining of multiprotein assemblies
    Saunders, Marissa G.
    Voth, Gregory A.
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 2012, 22 (02) : 144 - 150
  • [29] Coarse-graining in quantum mechanics
    Voth, Gregory A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
  • [30] Recent advances in coarse-graining
    Voth, Gregory
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258