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PreprintCC BY 4.0arXiv

Sign-problem-free Bosonic Auxiliary Field Quantum Monte Carlo

Abstract

The sign problem poses a fundamental barrier to numerically exact quantum Monte Carlo simulations, severely hindering our understanding of quantum many-body physics across disciplines ranging from condensed matter to particle and nuclear physics. Geometrical frustration makes this barrier especially acute for interacting bosons. Here, we develop a bosonic auxiliary-field quantum Monte Carlo (BAFQMC) method and rigorously prove that time-reversal symmetry and reflection positivity each provide a general sufficient condition for sign-problem-free simulations. Crucially, under either criterion, BAFQMC evades the sign problem even on frustrated lattices where conventional world-line and stochastic-series-expansion methods fail. Benchmarking our approach on a two-flavor Bose-Hubbard model on the triangular lattice yields excellent quantitative agreement with finite-temperature exact diagonalization. By establishing unifying principles to solve the sign problem in BAFQMC, our work substantially expands the reach of unbiased, numerically exact simulations for frustrated bosonic matter.

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BibTeX
@misc{yu2026signproblemfree,
  title = {{Sign-problem-free Bosonic Auxiliary Field Quantum Monte Carlo}},
  author = {Yin-Kai Yu and Zhong-Chao Wei and Zi-Xiang Li},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.31541},
  eprint = {2610.31541},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.31541},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Sign-problem-free Bosonic Auxiliary Field Quantum Monte Carlo
AU  - Yin-Kai Yu
AU  - Zhong-Chao Wei
AU  - Zi-Xiang Li
PY  - 2026
DA  - 2026/10/22
PB  - arXiv
DO  - 10.48550/arxiv.2610.31541
UR  - https://arxiv.org/abs/2610.31541
AB  - The sign problem poses a fundamental barrier to numerically exact quantum Monte Carlo simulations, severely hindering our understanding of quantum many-body physics across disciplines ranging from condensed matter to particle and nuclear physics. Geometrical frustration makes this barrier especially acute for interacting bosons. Here, we develop a bosonic auxiliary-field quantum Monte Carlo (BAFQMC) method and rigorously prove that time-reversal symmetry and reflection positivity each provide a general sufficient condition for sign-problem-free simulations. Crucially, under either criterion, BAFQMC evades the sign problem even on frustrated lattices where conventional world-line and stochastic-series-expansion methods fail. Benchmarking our approach on a two-flavor Bose-Hubbard model on the triangular lattice yields excellent quantitative agreement with finite-temperature exact diagonalization. By establishing unifying principles to solve the sign problem in BAFQMC, our work substantially expands the reach of unbiased, numerically exact simulations for frustrated bosonic matter.
ER  -