Search results for "Parallel tempering"
showing 5 items of 15 documents
Chain length dependence of the state diagram of a single stiff-chain macromolecule: Theory and Monte Carlo simulation
2003
We present a Monte Carlo computer simulation and theoretical results for the dependence of the state diagram of a single semiflexible chain on the chain length. The calculated transition lines between different structures in the state diagrams for both studied chain lengths N=40 and N=80 can be described by theoretical predictions which include chain length dependence explicitly. The stability criteria of different structures are discussed. The theoretically predicted exponent in the dependence of the toroid size on the chain length is compatible with computer simulation results.
Ergodicity breaking in a mean field Potts glass: A Monte Carlo investigation
2002
We use Monte Carlo simulations, single spin-flip as well as parallel tempering techniques to investigate the 10-state fully connected Potts glass for system sizes of up to N = 2560. We find that the α-relaxation shows a strong dependence on N and that for the system sizes considered the system remains ergodic even at temperatures below T D , the dynamical critical temperature for this model. However, if one uses the data for the finite size systems, such as the relaxation times or the time dependence of the spin autocorrelation function, and extrapolates them to the thermodynamic limit, one finds that they are indeed compatible with the results for N = ∞ (which are known from analytical cal…
Performance potential for simulating spin models on GPU
2012
Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available CPUs. For practical purposes, however, it is far from clear how much of this theoretical performance can be realized in actual scientific applications. As is discussed here for the case of studying classical spin models of statistical mechanics by Monte Carlo simulations, only an explicit tailoring of the involved algorithms to the specific architecture under consideration allows to harvest the computational power of GPU systems. A number of examples, ran…
An Adaptive Parallel Tempering Algorithm
2013
Parallel tempering is a generic Markov chainMonteCarlo samplingmethod which allows good mixing with multimodal target distributions, where conventionalMetropolis- Hastings algorithms often fail. The mixing properties of the sampler depend strongly on the choice of tuning parameters, such as the temperature schedule and the proposal distribution used for local exploration. We propose an adaptive algorithm with fixed number of temperatures which tunes both the temperature schedule and the parameters of the random-walk Metropolis kernel automatically. We prove the convergence of the adaptation and a strong law of large numbers for the algorithm under general conditions. We also prove as a side…
B–T phase diagram of Pd/Fe/Ir(111) computed with parallel tempering Monte Carlo
2017
We use an atomistic spin model derived from density functional theory calculations for the ultra-thin film Pd/Fe/Ir(111) to show that temperature induces coexisting non-zero skyrmion and antiskyrmion densities. We apply the parallel tempering Monte Carlo method in order to reliably compute thermodynamical quantities and the B-T phase diagram in the presence of frustrated exchange interactions. We evaluate the critical temperatures using the topological susceptibility. We show that the critical temperatures depend on the magnetic field in contrast to previous work. In total, we identify five phases: spin spiral, skyrmion lattice, ferromagnetic phase, intermediate region with finite topologic…