SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon models

ORAL

Abstract

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo (DQMC) algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon (e-ph) interactions, including both Su-Schrieffer-Heeger and Holstein-like e-ph interactions. Our implementation primarily employs hybrid Monte Carlo updates to sample the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also adopts a flexible scripting interface, allowing users to adapt it to complex workflows that require interfacing with other scientific computing packages in the Julia ecosystem.

*This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DE-SC0022311.

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Presenters

  • Benjamin Cohen-Stead

    • University of Tennessee Knoxville

Authors

  • Benjamin Cohen-Stead

    • University of Tennessee Knoxville

  • Richard T Scalettar

    • University of California, Davis

  • Kipton Barros

    • Los Alamos Natl Lab
    • Los Alamos National Laboratory

  • Steven S Johnston

    • University of Tennessee