Engineering local optimality in quantum Monte Carlo algorithms

DOI10.1016/J.JCP.2007.03.013MaRDI QIDQ2381271zbMATH OpenOpenAlexFDO

Authors L. Pollet, Kris Van Houcke, Stefan M. A. Rombouts

Publication date 14 September 2007

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0508462

zbMATH Keywords

algorithm optimizationbosonic modelsdirected loop algorithmMonte Carlospin modelsworm algorithm

Mathematics Subject Classification ID

Abstract: Quantum Monte Carlo algorithms based on a world-line representation such as the worm algorithm and the directed loop algorithm are among the most powerful numerical techniques for the simulation of non-frustrated spin models and of bosonic models. Both algorithms work in the grand-canonical ensemble and have a non-zero winding number. However, they retain a lot of intrinsic degrees of freedom which can be used to optimize the algorithm. We let us guide by the rigorous statements on the globally optimal form of Markov chain Monte Carlo simulations in order to devise a locally optimal formulation of the worm algorithm while incorporating ideas from the directed loop algorithm. We provide numerical examples for the soft-core Bose-Hubbard model and various spin-S models.

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Cites work

• ``Worm algorithm in quantum Monte Carlo simulations
• Equation of state calculations by fast computing machines
• Monte Carlo sampling methods using Markov chains and their applications
• Monte Carlo strategies in scientific computing
• Recent Developments of World-Line Monte Carlo Methods

Cited in

(6)

• Recent Developments of World-Line Monte Carlo Methods
• DSQSS: Discrete space quantum systems solver
• A classical fluctuation theory of the superfluid, Mott, and normal phases of correlated bosons
• Haldane insulator in the 1D nearest-neighbor extended Bose-Hubbard model with cavity-mediated long-range interactions
• A path integral ground state Monte Carlo algorithm for entanglement of lattice bosons
• Quantum phases of hardcore bosons with repulsive dipolar density-density interactions on two-dimensional lattices

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