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
  • [1] COARSE-GRAINING SCHEMES FOR STOCHASTIC LATTICE SYSTEMS WITH SHORT AND LONG-RANGE INTERACTIONS
    Katsoulakis, Markos A.
    Plechac, Petr
    Rey-Bellet, Luc
    Tsagkarogiannis, Dimitrios K.
    MATHEMATICS OF COMPUTATION, 2014, 83 (288) : 1757 - 1793
  • [2] Coarse-graining schemes and a posteriori error estimates for stochastic lattice systems
    Katsoulakis, Markos A.
    Plechac, Petr
    Rey-Bellet, Luc
    Tsagkarogiannis, Dimitrios K.
    ESAIM-MATHEMATICAL MODELLING AND NUMERICAL ANALYSIS, 2007, 41 (03) : 627 - 660
  • [3] Internal coarse-graining of molecular systems
    Feret, Jerome
    Danos, Vincent
    Krivine, Jean
    Harmer, Russ
    Fontana, Walter
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2009, 106 (16) : 6453 - 6458
  • [4] Coarse-graining involving virtual sites: Centers of symmetry coarse-graining
    Jin, Jaehyeok
    Han, Yining
    Voth, Gregory A.
    JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (15):
  • [5] On the coarse-graining of grains
    Goldhirsch, I.
    IUTAM-ISIMM SYMPOSIUM ON MATHEMATICAL MODELING AND PHYSICAL INSTANCES OF GRANULAR FLOWS, 2010, 1227 : 198 - 207
  • [6] RELATIVE COARSE-GRAINING
    MARCHAND, JP
    FOUNDATIONS OF PHYSICS, 1977, 7 (1-2) : 35 - 49
  • [7] What is coarse-graining?
    Voth, Gregory A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [8] Predictive coarse-graining
    Schoeberl, Markus
    Zabaras, Nicholas
    Koutsourelakis, Phaedon-Stelios
    JOURNAL OF COMPUTATIONAL PHYSICS, 2017, 333 : 49 - 77
  • [9] Coarse-graining Hamiltonian systems using WSINDy
    Messenger, Daniel A.
    Burby, Joshua W.
    Bortz, David M.
    SCIENTIFIC REPORTS, 2024, 14 (01):
  • [10] Coarse-graining in chaotic lattice dynamical systems
    Marcq, P
    Chaté, H
    SLOW DYNAMICS IN COMPLEX SYSTEMS, 1999, 469 : 313 - 314