SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions
Benjamin Cohen-Stead, Sohan Malkaruge Costa, James Neuhaus, Andy Tanjaroon Ly, Yutan Zhang, Richard Scalettar, Kipton Barros, Steven Johnston
SciPost Phys. Codebases 29 (2024) · published 28 May 2024
- doi: 10.21468/SciPostPhysCodeb.29
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DOI | Type | |
---|---|---|
10.21468/SciPostPhysCodeb.29 | Article | |
10.21468/SciPostPhysCodeb.29-r0.3 | Codebase release |
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 ($e$-ph) interactions, including non-linear $e$-ph coupling and anharmonic lattice potentials. Our implementation uses 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/.
Cited by 3
Authors / Affiliations: mappings to Contributors and Organizations
See all Organizations.- 1 Benjamin Cohen-Stead,
- 1 Sohan Malkaruge Costa,
- 1 James Neuhaus,
- 1 Andy Tanjaroon Ly,
- 2 Yutan Zhang,
- 2 Richard Scalettar,
- 3 Kipton Barros,
- 1 Steven Johnston
- 1 University of Tennessee at Knoxville [UTK]
- 2 University of California, Davis [UCD]
- 3 Los Alamos National Laboratory [LANL]