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SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions
by Benjamin Cohen-Stead, Sohan Malkaruge Costa, James Neuhaus, Andy Tanjaroon Ly, Yutan Zhang, Richard Scalettar, Kipton Barros, Steven Johnston
This Submission thread is now published as
Submission summary
| Authors (as registered SciPost users): | Steven Johnston · James Neuhaus |
| Submission information | |
|---|---|
| Preprint Link: | https://arxiv.org/abs/2311.09395v3 (pdf) |
| Code repository: | https://github.com/SmoQySuite/SmoQyDQMC.jl |
| Date accepted: | 2024-05-06 |
| Date submitted: | 2024-04-18 17:36 |
| Submitted by: | Johnston, Steven |
| Submitted to: | SciPost Physics Codebases |
| Ontological classification | |
|---|---|
| Academic field: | Physics |
| Specialties: |
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| Approach: | Computational |
Abstract
We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon interactions, including non-linear $e$-ph coupling and anharmonic lattice potentials. Our implementations use hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient 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, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.
Author comments upon resubmission
List of changes
1) We have corrected the typos pointed out by the referees.
2) We have added a new section providing an overview of a typical DQMC simulation.
3) We have added some sentences clarifying the notation in several places.
4) We have added some discussion on MPI parallelization.
5) We have added several links to relevant online documentation.
Published as SciPost Phys. Codebases 29 (2024) , SciPost Phys. Codebases 29-r0.3 (2024)
Reports on this Submission
Report
All the questions and comments have been addressed by the authors, and the quality of the manuscript has been significantly improved. Therefore, I highly recommend the manuscript for publication in the SciPost journal.
Recommendation
Publish (easily meets expectations and criteria for this Journal; among top 50%)
Author: Steven Johnston on 2024-04-24 [id 4443]
(in reply to Report 1 on 2024-04-24)We again thank the referee for their time and for their positive recommendation.