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

Abstract

We introduce version 1.0 of the SmoQyElPhQMC package, an open-source Julia code for performing scalable quantum Monte Carlo simulations of electron-phonon coupled model Hamiltonians. SmoQyElPhQMC is built upon the SmoQyDQMC codebase and implements improved versions of the algorithms presented in [B. Cohen-Stead \textit{et al}., Phys. Rev. E {\bf 105}, 065302 (2022)] to enable linear-scaling 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, the SmoQyElPhQMC 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/.