SciPost logo

SciPost Submission Page

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

Submission summary

Authors (as registered SciPost users): Steven Johnston
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:
  • Condensed Matter Physics - Computational
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

We would like to thank the referees for their time spent reviewing our work and for their constructive comments. We have made several changes to the manuscript in response as detailed below and in our responses to the referees.

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.

Current status:
Accepted in target Journal

Editorial decision: For Journal SciPost Physics Codebases: Publish
(status: Editorial decision fixed and (if required) accepted by authors)


Reports on this Submission

Anonymous Report 1 on 2024-4-24 (Invited Report)

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%)

  • validity: high
  • significance: high
  • originality: high
  • clarity: high
  • formatting: excellent
  • grammar: excellent

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.

Login to report or comment