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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 e -ph) interactions, including non-linear e 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/.
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Benjamin Cohen-Stead
Sohan Malkaruge Costa
James D. Neuhaus
SciPost Physics Codebases
University of California, Davis
Los Alamos National Laboratory
University of Tennessee at Knoxville
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Cohen-Stead et al. (Tue,) studied this question.
synapsesocial.com/papers/68e680e5b6db643587609864 — DOI: https://doi.org/10.21468/scipostphyscodeb.29