SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions (version 2.0 release)

Abstract

We introduce version 2.0 of the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with local and extended Hubbard and generalized electron-phonon (e-ph) interactions, including non-linear e-ph coupling and anharmonic lattice potentials. Our implementation uses an optimized hybrid Monte Carlo method with exact forces to efficiently sample the phonon fields, enabling the simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, is found at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

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Cited by in corpus (11)

• Fluctuating charge-density-wave correlations in the three-band Hubbard model
• SmoQyDEAC.jl: A differential evolution package for the analytic continuation of imaginary time correlation functions
• Kekulé valence bond order in the honeycomb lattice optical Su-Schrieffer-Heeger Model and its relevance to Graphene
• Optimizing the Critical Temperature and Superfluid Density of a Metal-Superconductor Bilayer
• Intertwined fluctuations and isotope effects in the Hubbard-Holstein model on the square lattice from functional renormalization
• Antiferromagnetic and bond-order-wave phases in the half-filled two-dimensional optical Su-Schrieffer-Heeger-Hubbard model
• Persistence of small polarons into the superconducting phase of Ba${}_{1-x}$K${}_x$BiO${}_3$
• Minimal Autocorrelation in Hybrid Monte Carlo simulations using Exact Fourier Acceleration
• Thermal Tensor Network Simulations of Lattice Fermions with Fixed Filling
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• Tuning superconductivity and charge density wave order by next-nearest-neighbor hopping integral in honeycomb Holstein model