2016
DOI: 10.1103/physreve.93.022139
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Thermostat algorithm for generating target ensembles

Abstract: We present a deterministic algorithm called contact density dynamics that generates any prescribed target distribution in the physical phase space. Akin to the famous model of Nosé and Hoover, our algorithm is based on a non-Hamiltonian system in an extended phase space. However, the equations of motion in our case follow from contact geometry and we show that in general they have a similar form to those of the so-called density dynamics algorithm. As a prototypical example, we apply our algorithm to produce a… Show more

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Cited by 39 publications
(51 citation statements)
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“…Recently, in [38], another application of contact Hamiltonian dynamics has been proposed, namely in equilibrium statistical mechanics (SM). A major problem for the dynamical simulations of systems in an equilibrium ensemble different from the microcanonical one is that of finding equations of motion that generate the correct equilibrium distribution for the positions and momenta of the physical system (see, e.g., [39][40][41]).…”
Section: Equilibrium Statistical Mechanicsmentioning
confidence: 99%
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“…Recently, in [38], another application of contact Hamiltonian dynamics has been proposed, namely in equilibrium statistical mechanics (SM). A major problem for the dynamical simulations of systems in an equilibrium ensemble different from the microcanonical one is that of finding equations of motion that generate the correct equilibrium distribution for the positions and momenta of the physical system (see, e.g., [39][40][41]).…”
Section: Equilibrium Statistical Mechanicsmentioning
confidence: 99%
“…Using the above-mentioned Liouville theorem, it follows that the invariant measure of the dynamics has the distribution ρ t (q a , p a , S) [38]. Therefore, one is free to choose ρ t from the onset to be any distribution in T SM .…”
Section: Equilibrium Statistical Mechanicsmentioning
confidence: 99%
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“…The DD method provides an algorithm for the generation of a set of equations in a (2n + 1)-dimensional space consistent with a prescribed probability distribution (n being the degrees of freedom of the physical system). For a general description of the method we refer to [13][14][15]. In this section we present its application to ST1DS.…”
Section: Density Dynamicsmentioning
confidence: 99%
“…Contact geometry [58,59] hasn't received much attention in physics literature until the recent years. This geometric setting is widely used to study thermodynamics [38,40,41], mechanical systems with Rayleigh dissipation [60,61] as well as statistical mechanics [62]. Contact geometry is the odd dimensional counterpart of the more familiar symplectic geometry [63].…”
Section: Introductionmentioning
confidence: 99%