Simulation of structural phase transitions by metadynamics

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dc.creatorMartonak, R.
dc.creatorLaio, A.
dc.creatorBernasconi, M.
dc.creatorCeriani, C.
dc.creatorRaiteri, P.
dc.creatorParrinello, M.
dc.date2004-11-22
dc.date.accessioned2026-07-07T03:02:16Z
dc.date.available2026-07-07T03:02:16Z
dc.descriptionWe describe here in detail the recently introduced methodology for simulation of structural transitions in crystals. The applications of the new scheme are illustrated on various kinds of crystals and the advantages with respect to previous schemes are emphasized. The relevance of the new method for the problem of crystal structure prediction is also discussed.
dc.description11 pages, 7 Postscript figures. Special Issue "Computational Crystallography" of Zeitschrift fuer Kristallographie (to appear in 2005, see http://olivine.ethz.ch/~artem/ZKrist.html)
dc.identifierhttps://arxiv.org/abs/cond-mat/0411559
dc.identifierhttp://arxiv.org/abs/cond-mat/0411559
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/25334
dc.subjectMaterials Science
dc.subjectStatistical Mechanics
dc.titleSimulation of structural phase transitions by metadynamics
dc.typetext

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