Published May 27, 2025 | Version Published
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Fermionic tensor network contraction for arbitrary geometries

Abstract

We describe our implementation of fermionic tensor network contraction on arbitrary lattices within both a globally ordered and a locally ordered formalism. We provide a pedagogical description of these two conventions as implemented for the quimb library. Using hyperoptimized approximate contraction strategies, we present benchmark fermionic projected entangled pair state simulations of finite Hubbard models defined on the three-dimensional diamond lattice and random regular graphs. 

Copyright and License

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.

Acknowledgement

The initial development of this library by Y.G. and H.Z. that used the pyblock3 fermionic sparse tensor library [50,51], was supported by the U.S. National Science Foundation through Grant No. CHE-2102505. The subsequent symmray implementation by J.G. (now the default implementation in quimb) was supported by the Quantum Utility through Advanced Quantum Computational Algorithms Center, funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, through Grant No. DE-SC0025572.

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Additional details

Related works

Is new version of
Discussion Paper: arXiv:2410.02215 (arXiv)

Funding

National Science Foundation
CHE-2102505
United States Department of Energy
DE-SC0025572

Dates

Accepted
2025-05-15

Caltech Custom Metadata

Caltech groups
Division of Chemistry and Chemical Engineering (CCE), Division of Engineering and Applied Science (EAS)
Publication Status
Published