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arXiv:2606.14425

SmoQyElPhQMC.jl: An open-source Julia package for efficient and scalable quantum Monte Carlo simulations of electron-phonon coupled models

Benjamin Cohen-Stead, James Neuhaus, Kipton M. Barros, Thomas Maier, Steven Johnston

Published Jun 12, 2026• 0 citations
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Abstract

We introduce version 1.0 of the SmoQyElPhQMC.jl package, an open-source Julia code for performing scalable quantum Monte Carlo simulations of electron-phonon coupled model Hamiltonians. SmoQyElPhQMC.jl is built upon the SmoQyDQMC.jl codebase and implements improved versions of the algorithms presented in [B. Cohen-Stead \textit{et al}., Phys. Rev. E 105, 065302 (2022)] to enable (near-linear) scalable simulations of a broad class of uncorrelated $e$-ph models both in system size and inverse temperature. By extending the functionality of the flexible scripting interface introduced in SmoQyDQMC.jl, the SmoQyElPhQMC.jl package continues to allow 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/SmoQyElPhQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our documentation page at https://smoqysuite.github.io/SmoQyElPhQMC.jl/stable/.

DOI
10.48550/arxiv.2606.14425

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We introduce version 1.0 of the SmoQyElPhQMC.jl package, an open-source Julia code for performing scalable quantum Monte Carlo simulations of electron-phonon coupled model Hamiltonians. SmoQyElPhQMC.jl is built upon the SmoQyDQMC.jl codebase and implements improved versions of the algorithms presented in [B. Cohen-Stead \textit{et al}., Phys. Rev. E 105, 065302 (2022)] to enable (near-linear) scalable simulations of a broad class of uncorrelated eee-ph models both in system size and inverse temperature. By extending the functionality of the flexible scripting interface introduced in SmoQyDQMC.jl, the SmoQyElPhQMC.jl package continues to allow 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/SmoQyElPhQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our documentation page at https://smoqysuite.github.io/SmoQyElPhQMC.jl/stable/.
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/.
We introduce version 2.0 of the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with local and extended Hubbard and generalized electron-phonon (e-ph) interactions, including non-linear e-ph coupling and anharmonic lattice potentials. Our implementation uses an optimized hybrid Monte Carlo method with exact forces to efficiently sample the phonon fields, enabling the 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, is found at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.
We introduce version 2.0 of the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with local and extended Hubbard and generalized electron-phonon (e-ph) interactions, including non-linear e-ph coupling and anharmonic lattice potentials. Our implementation uses an optimized hybrid Monte Carlo method with exact forces to efficiently sample the phonon fields, enabling the 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, is found at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.
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/.
We introduce the SmoQyDEAC.jl package, a Julia implementation of the Differential Evolution Analytic Continuation (DEAC) algorithm [N. S. Nichols et al., Phys. Rev. E 106, 025312 (2022)] for analytically continuing noisy imaginary time correlation functions to the real frequency axis. Our implementation supports fermionic and bosonic correlation functions on either the imaginary time or Matsubara frequency axes, and treatment of the covariance error in the input data. This paper presents an overview of the DEAC algorithm and the features implemented in the SmoQyDEAC.jl package. It also provides detailed benchmarks of the package’s output against the popular maximum entropy and stochastic analytic continuation methods. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDEAC.jl or installed using the Julia package manager. The online documentation, including examples, can be accessed at https://smoqysuite.github.io/SmoQyDEAC.jl/stable/.
We present QuantumBilliards.jl, an open-source Julia library providing a suite of numerical solvers for the two-dimensional interior Helmholtz eigenproblem with Dirichlet boundary conditions, a paradigmatic model in quantum chaos. The library implements conventional wavenumber-sweep techniques together with several accelerated eigensolvers: the Vergini--Saraceno scaling method, the expanded boundary integral method (EBIM), Beyn's contour-integral method, and the Compact Rational Krylov (CORK) method. It provides a common framework for constructing billiard geometries, exploiting discrete symmetries, computing eigenvalues and eigenstates, and treating smooth, cornered, and multiply connected domains. The library further includes reconstruction of eigenfunctions from boundary normal derivatives and the computation of Poincaré--Husimi (PH) phase-space representations. Available at: https://github.com/Quantum-Chaos-Julia/QuantumBilliards.jl.