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Titolo:
Entropic tempering: A method for overcoming quasiergodicity in simulation - art. no. 010902
Autore:
Calvo, F; Doye, JPK;
Indirizzi:
CEA Grenoble, Dept Rech Fondamentale Mat Condensee, F-38054 Grenoble, France CEA Grenoble Grenoble France F-38054 Condensee, F-38054 Grenoble, France Univ Cambridge, Chem Lab, Cambridge CB2 1EW, England Univ Cambridge Cambridge England CB2 1EW Lab, Cambridge CB2 1EW, England
Titolo Testata:
PHYSICAL REVIEW E
fascicolo: 1, volume: 6301, anno: 2001,
parte:, 1
pagine: 0902 -
SICI:
1063-651X(200101)6301:1<0902:ETAMFO>2.0.ZU;2-L
Fonte:
ISI
Lingua:
ENG
Soggetto:
MONTE-CARLO SIMULATIONS; ENERGY LANDSCAPE; ATOMIC CLUSTERS; JUMP-WALKING; GAS CLUSTERS; PROTEIN; THERMODYNAMICS; DYNAMICS; MODEL; SURFACE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
31
Recensione:
Indirizzi per estratti:
Indirizzo: Calvo, F CEA Grenoble, Dept Rech Fondamentale Mat Condensee, F-38054 Grenoble, France CEA Grenoble Grenoble France F-38054 , F-38054 Grenoble, France
Citazione:
F. Calvo e J.P.K. Doye, "Entropic tempering: A method for overcoming quasiergodicity in simulation - art. no. 010902", PHYS REV E, 6301(1), 2001, pp. 0902

Abstract

The parallel tempering, multicanonical ensemble, and multiple histogram methods are combined into a powerful technique allowing enhanced sampling of complex energy surfaces. This method is shown to improve significantly the ergodic behavior in simulations of cluster melting. Application to the finite-size effects in folding minimal off-lattice beta -sheet model proteins shows that the collapse and folding transitions both involve some latent heat.

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Documento generato il 02/04/20 alle ore 07:32:03