Computing the partition function, ensemble averages, and density of states for lattice spin systems by sampling the mean
Creators
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.2013.05.001Additional 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.