Searcharxiv⌕ Search

arXiv subjects

Julio C. S. Rocha

Publications and source records attributed to Julio C. S. Rocha.

2 recordsLinked to original sources

Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this difficulty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.

physics.comp-ph↗

Identifying transitions in finite systems by means of partition function zeros and microcanonical inflection-point analysis: A comparison for elastic flexible polymers

For the estimation of transition points of finite elastic, flexible polymers with chain lengths from $13$ to $309$ monomers, we compare systematically transition temperatures obtained by the Fisher partition function zeros approach with recent results from microcanonical inflection-point analysis. These methods rely on accurate numerical estimates of the density of states, which have been obtained by advanced multicanonical Monte Carlo sampling techniques. Both the Fisher zeros method and microcanonical inflection-point analysis yield very similar results and enable the unique identification of transition points in finite systems, which is typically impossible in the conventional canonical analysis of thermodynamic quantities.

physics.data-an↗