Study of phase changes of the water octamer using parallel tempering and multihistogram methods

Research output: Contribution to journalArticle

47 Citations (Scopus)

Abstract

The canonical phase changes of the water octamer were characterized by using parallel tempering Monte Carlo simulations in combination with the multihistogram method. It was shown that the dependence of the phase changes on the size of the cluster provide insights into the nature of the bulk phase transitions.

Original languageEnglish
Pages (from-to)2621-2628
Number of pages8
JournalJournal of Chemical Physics
Volume115
Issue number6
DOIs
Publication statusPublished - 8 Aug 2001
Externally publishedYes

Fingerprint

tempering
Tempering
Phase transitions
Water
water
simulation
Monte Carlo simulation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Study of phase changes of the water octamer using parallel tempering and multihistogram methods. / Nigra, P.; Carignano, Marcelo; Kais, S.

In: Journal of Chemical Physics, Vol. 115, No. 6, 08.08.2001, p. 2621-2628.

Research output: Contribution to journalArticle

@article{3a9264399b274c6c95d7ae994b6d49f8,
title = "Study of phase changes of the water octamer using parallel tempering and multihistogram methods",
abstract = "The canonical phase changes of the water octamer were characterized by using parallel tempering Monte Carlo simulations in combination with the multihistogram method. It was shown that the dependence of the phase changes on the size of the cluster provide insights into the nature of the bulk phase transitions.",
author = "P. Nigra and Marcelo Carignano and S. Kais",
year = "2001",
month = "8",
day = "8",
doi = "10.1063/1.1385795",
language = "English",
volume = "115",
pages = "2621--2628",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "6",

}

TY - JOUR

T1 - Study of phase changes of the water octamer using parallel tempering and multihistogram methods

AU - Nigra, P.

AU - Carignano, Marcelo

AU - Kais, S.

PY - 2001/8/8

Y1 - 2001/8/8

N2 - The canonical phase changes of the water octamer were characterized by using parallel tempering Monte Carlo simulations in combination with the multihistogram method. It was shown that the dependence of the phase changes on the size of the cluster provide insights into the nature of the bulk phase transitions.

AB - The canonical phase changes of the water octamer were characterized by using parallel tempering Monte Carlo simulations in combination with the multihistogram method. It was shown that the dependence of the phase changes on the size of the cluster provide insights into the nature of the bulk phase transitions.

UR - http://www.scopus.com/inward/record.url?scp=0035828054&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035828054&partnerID=8YFLogxK

U2 - 10.1063/1.1385795

DO - 10.1063/1.1385795

M3 - Article

VL - 115

SP - 2621

EP - 2628

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 6

ER -