Published October 1, 2013 | Version v1
Journal article

Computing the partition function, ensemble averages, and density of states for lattice spin systems by sampling the mean

Description

An algorithm to approximately calculate the partition function (and subsequently ensemble averages) and density of states of lattice spin systems through non-Monte-Carlo random sampling is developed. This algorithm (called the sampling-the-mean algorithm) can be applied to models where the up or down spins at lattice nodes interact to change the spin states of other lattice nodes, especially non-Ising-like models with long-range interactions such as the biological model considered here. Because it is based on the Central Limit Theorem of probability, the sampling-the-mean algorithm also gives estimates of the error in the partition function, ensemble averages, and density of states. Easily implemented parallelization strategies and error minimizing sampling strategies are discussed. The sampling-the-mean method works especially well for relatively small systems, systems with a density of energy states that contains sharp spikes or oscillations, or systems with little a priori knowledge of the density of states

Availability note (English)

Available from http://dx.doi.org/10.1016/j.jcp.2013.05.001

Additional details

Identifiers

DOI
10.1016/j.jcp.2013.05.001;
PII
S0021-9991(13)00325-2;

Publishing Information

Journal Title
Journal of Computational Physics
Journal Volume
250
Journal Page Range
p. 1-12
ISSN
0021-9991
CODEN
JCTPAH

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
45051881
Subject category
S97: MATHEMATICAL METHODS AND COMPUTING;
Descriptors DEI
ALGORITHMS; APPROXIMATIONS; BIOLOGICAL MODELS; DENSITY; ERRORS; INTERACTION RANGE; MONTE CARLO METHOD; OSCILLATIONS; PARTITION FUNCTIONS; PROBABILITY; RANDOMNESS; SAMPLING; SPIN
Descriptors DEC
ANGULAR MOMENTUM; CALCULATION METHODS; DISTANCE; FUNCTIONS; MATHEMATICAL LOGIC; PARTICLE PROPERTIES; PHYSICAL PROPERTIES

Optional Information

Copyright
Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.