Efficient and scalable path integral Monte Carlo simulations with worm-type updates for Bose-Hubbard and XXZ models
Nicolas Sadoune, Lode Pollet
Abstract
We present a novel and open-source implementation of the worm algorithm, which is an algorithm to simulate Bose-Hubbard and sign-positive spin models using a path-integral representation of the partition function. The code can deal with arbitrary lattice structures and assumes spin-exchange terms, or bosonic hopping amplitudes, between nearest-neighbor sites, and local or nearest-neighbor interactions of the density-density type. We explicitly demonstrate the near-linear scaling of the algorithm with respect to the system volume and the inverse temperature and analyze the autocorrelation times in the vicinity of a U(1) <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:mi>U</mml:mi> <mml:mo stretchy="false" form="prefix">(</mml:mo> <mml:mn>1</mml:mn> <mml:mo stretchy="false" form="postfix">)</mml:mo> </mml:mrow> </mml:math> second order phase transition. The code is written in such a way that extensions to other lattice models as well as closely-related sign-positive models can be done straightforwardly on top of the provided framework.