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Updated: Jul 16, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Wang-Landau multibondic cluster simulations for second-order phase transitions
1Department of Physics, Florida State University, Tallahassee, Florida 32306, USA.
Abstract:
For a second-order phase transition the critical energy range of interest is larger than the energy range covered by a canonical Monte Carlo simulation at the critical temperature. Such an extended energy range can be covered by performing a Wang-Landau recursion for the spectral density followed by a multicanonical simulation with fixed weights. But in the conventional approach one loses the advantage due to cluster algorithms. A cluster version of the Wang-Landau recursion together with a subsequent multibondic simulation improves for 2D and 3D Ising models the efficiency of the conventional Wang-Landau or multicanonical approach by power laws in the lattice size. In our simulations real gains in CPU time reach 2 orders of magnitude.
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