Codebase release r2.0 for SmoQyDQMC.jl
Abstract
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/.
Fields of Study & Subjects
Machine Learning in Materials Science
Quantum
superfluid
helium dynamics
Advanced Physical and Chemical Molecular Interactions
Publication details
- Journal / source
- SciPost Physics Codebases
- Publisher
- Stichting SciPost
- Publication date
- 9 June 2026
- Language
- EN