A quantum Monte Carlo algorithm for Bose-Hubbard models on arbitrary graphs

Abstract

We propose a quantum Monte Carlo algorithm capable of simulating the Bose-Hubbard model on arbitrary graphs, obviating the need for devising lattice-specific updates for different input graphs. We show that with our method, which is based on the recently introduced Permutation Matrix Representation Quantum Monte Carlo [Gupta, Albash and Hen, J. Stat. Mech. (2020) 073105], the problem of adapting the simulation to a given geometry amounts to generating a cycle basis for the graph on which the model is defined, a procedure that can be carried out efficiently and and in an automated manner. To showcase the versatility of our approach, we provide simulation results for Bose-Hubbard models defined on two-dimensional lattices as well as on a number of random graphs.