{
  "id": "1109.4068",
  "version": "v1",
  "published": "2011-09-19T15:55:14.000Z",
  "updated": "2011-09-19T15:55:14.000Z",
  "title": "Comparing different protocols of temperature selection in the parallel tempering method",
  "authors": [
    "Carlos E. Fiore"
  ],
  "comment": "http://link.aip.org/link/?JCP/135/114107",
  "journal": "J. Chem. Phys. 135, 114107 (2011)",
  "doi": "10.1063/1.3636382",
  "categories": [
    "cond-mat.stat-mech"
  ],
  "abstract": "Parallel tempering Monte Carlo simulations have been applied to a variety of systems presenting rugged free-energy landscapes. Despite this, its efficiency depends strongly on the temperature set. With this query in mind, we present a comparative study among different temperature selection schemes in three lattice-gas models. We focus our attention in the constant entropy method (CEM), proposed by Sabo {\\it et al}. In the CEM, the temperature is chosen by the fixed difference of entropy between adjacent replicas. We consider a method to determine the entropy which avoids numerical integrations of the specific heat and other thermodynamic quantities. Different analyses for first- and second-order phase transitions have been undertaken, revealing that the CEM may be an useful criterion for selecting the temperatures in the parallel tempering",
  "revisions": [
    {
      "version": "v1",
      "updated": "2011-09-19T15:55:14.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "81.40.Gh",
      "02.50.Ng",
      "05.10.Ln",
      "05.50.+q",
      "05.70.Ce",
      "05.70.Fh"
    ],
    "keywords": [
      "parallel tempering method",
      "parallel tempering monte carlo simulations",
      "systems presenting rugged free-energy landscapes",
      "temperature selection schemes"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "AIP",
      "journal": "Journal of Chemical Physics",
      "year": 2011,
      "month": "Sep",
      "volume": 135,
      "number": 11,
      "pages": 4107
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2011JChPh.135k4107F"
    }
  }
}