SmoQyDQMC

This package implements the determinant quantum Monte Carlo (DQMC) method for Hubbard, and electron-phonon interactions, including both Holstein and Su-Schrieffer-Heeger (SSH) style electron-phonon coupling.

Funding

The development of this code was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award Number DE-SC0022311.

Installation

To install the SmoQyDQMC.jl, simply open the Julia REPL and run the command

julia> ]
pkg> add SmoQyDQMC

or equivalently via Pkg do

julia> using Pkg; Pkg.add("SmoQyDQMC")

Documentation

• STABLE: Documentation for the latest version of the code published to the Julia General registry.
• DEV: Documentation associated with most recent commit to the main branch.

Publication List

Follow this link to see a list of some of the publications that report results generated using the SmoQyDQMC.jl package.

Notable Package Dependencies

This section reviews some notable package dependencies.

Re-exported Packages

The SmoQyDQMC.jl re-exports certain packages using the Reexport.jl package in order to simplify the installation process.

• LatticeUtilties.jl: Used to represent arbitrary lattice geometries.
• JDQMCFramework.jl: Implements and exports the basic framework for running a DQMC simulation.
• JDQMCMeasurements.jl: Implements various global, local and correlation measurements for a DQMC simulation.
• MuTuner.jl: Impelments and exports an algorithm for tuning the chemical potential to achieve a target density in grand canonical Monte Carlo simulations.

External Dependencies

• StableLinearAlgebra.jl: Implements optimized numerical stabilizaiton methods required by DQMC simulations.
• Checkerboard.jl: Implements and exports the checkerboard method for approximating exponentiated hopping matrices by a sparse matrix.
• JLD2.jl: Package used to write data to binary files in an HDF5 compatible format. It is also recommended this package be used at the scripting level to implement checkpointing in a simulation.

Citation

If you found this library to be useful in the course of academic work, please consider citing us:

@Article{SmoQyDQMC.jl,
	title={{SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions}},
	author={Benjamin Cohen-Stead and Sohan Malkaruge Costa and James Neuhaus and Andy Tanjaroon Ly and Yutan Zhang and Richard Scalettar and Kipton Barros and Steven Johnston},
	journal={SciPost Phys. Codebases},
	pages={29},
	year={2024},
	publisher={SciPost},
	doi={10.21468/SciPostPhysCodeb.29},
	url={https://scipost.org/10.21468/SciPostPhysCodeb.29},
}

Publications

A list of some of the publications that report results generated using SmoQyDQMC.jl can be found here.

Contact Us

For question and comments regarding this package, please email either Dr. Benjamin Cohen-Stead at [email protected] or Professor Steven Johnston at [email protected].