Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2010-11-10
Phys. Rev. E 82, 031104 (2010)
Physics
Condensed Matter
Statistical Mechanics
Scientific paper
10.1103/PhysRevE.82.031104
Two important enhanced sampling algorithms, simulated (ST) and parallel (PT) tempering, are commonly used when ergodic simulations may be hard to achieve, e.g, due to a phase space separated by large free-energy barriers. This is so for systems around first-order phase transitions, a case still not fully explored with such approaches in the literature. In this contribution we make a comparative study between the PT and ST for the Ising (a lattice-gas in the fluid language) and the BEG (a lattice-gas with vacancies) models at phase transition regimes. We show that although the two methods are equivalent in the limit of sufficiently long simulations, the PT is more advantageous than the ST with respect to all the analysis performed: convergence towards the stationarity; frequency of tunneling between phases at the coexistence; and decay of time-displaced correlation functions of thermodynamic quantities. Qualitative arguments for why one may expect better results from the PT than the ST near phase transitions conditions are also presented.
da Luz Marcos G. E.
Fiore Carlos E.
No associations
LandOfFree
Comparing parallel and simulated tempering enhanced sampling algorithms at phase transition regimes does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Comparing parallel and simulated tempering enhanced sampling algorithms at phase transition regimes, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Comparing parallel and simulated tempering enhanced sampling algorithms at phase transition regimes will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-613911