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
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Benjamin Cohen-Stead
University of Tennessee Knoxville
Authors
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Benjamin Cohen-Stead
University of Tennessee Knoxville
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Richard T Scalettar
University of California, Davis
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Kipton Barros
Los Alamos Natl Lab, Los Alamos National Laboratory
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Steven S Johnston
University of Tennessee