SmoQyDQMC

Documentation for SmoQyDQMC.jl. 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.

This code is currently in the experimental phase of development.

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 commands

julia> ]
pkg> add SmoQyDQMC

or equivalently via Pkg do

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

Publication List

This sections lists of some of the publications that report results generated using the SmoQyDQMC.jl package.

[1]: A. Tanjaroon Ly, B. Cohen-Stead, S. Malkaruge Costa and S. Johnston. Comparative study of the superconductivity in the Holstein and optical Su-Schrieffer-Heeger models. Phys. Rev. B 108, 184501 (2023).
[2]: S. Malkaruge Costa, B. Cohen-Stead, A. T. Ly, J. Neuhaus and S. Johnston. Comparative determinant quantum Monte Carlo study of the acoustic and optical variants of the Su-Schrieffer-Heeger model. Phys. Rev. B 108, 165138 (2023).
[3]: G.-H. Huang and Z. Wu. Magnetic correlations of a doped and frustrated Hubbard model: Benchmarking the two-particle self-consistent theory against a quantum simulator. Phys. Rev. B 110, L100406 (2024).
[4]: T. Shen, H. Barghathi, A. Del Maestro and B. M. Rubenstein. Disentangling the physics of the attractive Hubbard model as a fully interacting model of fermions via the accessible and symmetry-resolved entanglement entropies. Phys. Rev. B 109, 195119 (2024).
[5]: S. Malkaruge Costa, B. Cohen-Stead and S. Johnston. Kekulé valence bond order in the honeycomb lattice optical Su-Schrieffer-Heeger model and its relevance to graphene. Phys. Rev. B 110, 115130 (2024).
[6]: J. Neuhaus, N. S. Nichols, D. Banerjee, B. Cohen-Stead, T. A. Maier, A. D. Maestro and S. Johnston. SmoQyDEAC.jl: A differential evolution package for the analytic continuation of imaginary time correlation functions, arXiv:2407.04568 (2024).
[7]: M. Naamneh, E. Paris, D. McNally, Y. Tseng, W. R. Pudelko, D. J. Gawryluk, J. Shamblin, E. OQuinn, B. Cohen-Stead, M. Shi, M. Radovic, M. Lang, T. Schmitt, S. Johnston and N. C. Plumb. Persistence of small polarons into the superconducting phase of Ba$_{1-x}$K$_x$BiO$_3$, arXiv:2408.00401 (2024).
[8]: P. Mai, B. Cohen-Stead, T. A. Maier and S. Johnston. Fluctuating charge-density-wave correlations in the three-band Hubbard model, arXiv:2405.13164 (2024).

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},
}

Contact Us

For question and comments regarding this package, please email either Dr. Benjamin Cohen-Stead at bcohenst@utk.edu or Professor Steven Johnston at sjohn145@utk.edu.