Conjugate gradient heatbath for ill-conditioned actions

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dc.creatorCeriotti, Michele
dc.creatorBussi, Giovanni
dc.creatorParrinello, Michele
dc.date2008-03-31
dc.date.accessioned2026-07-07T09:29:26Z
dc.date.available2026-07-07T09:29:26Z
dc.descriptionWe present a method for performing sampling from a Boltzmann distribution of an ill-conditioned quadratic action. This method is based on heatbath thermalization along a set of conjugate directions, generated via a conjugate-gradient procedure. The resulting scheme outperforms local updates for matrices with very high condition number, since it avoids the slowing down of modes with lower eigenvalue, and has some advantages over the global heatbath approach, compared to which it is more stable and allows for more freedom in devising case-specific optimizations.
dc.identifierhttps://arxiv.org/abs/0803.4444
dc.identifierhttp://arxiv.org/abs/0803.4444
dc.identifierM. Ceriotti, G. Bussi and M. Parrinello, Phys. Rev. E 76, 026707 (2007)
dc.identifierdoi:10.1103/PhysRevE.76.026707
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/157783
dc.subjectComputational Physics
dc.subjectStatistical Mechanics
dc.titleConjugate gradient heatbath for ill-conditioned actions
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