QuTree: A tree tensor network package

Ellerbrock R, Johnson KG, Seritan S, Hoppe H, Zhang JH, Lenzen T, Weike T, Manthe U, Martínez TJ (2024)
The Journal of Chemical Physics 160(11).

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Ellerbrock, RomanUniBi; Johnson, K. Grace; Seritan, Stefan; Hoppe, HannesUniBi ; Zhang, J. H.; Lenzen, TimUniBi; Weike, ThomasUniBi; Manthe, UweUniBi; Martínez, Todd J.
Abstract / Bemerkung
We present QuTree, a C++ library for tree tensor network approaches. QuTree provides class structures for tensors, tensor trees, and related linear algebra functions that facilitate the fast development of tree tensor network approaches such as the multilayer multiconfigurational time-dependent Hartree approach or the density matrix renormalization group approach and its various extensions. We investigate the efficiency of relevant tensor and tensor network operations and show that the overhead for managing the network structure is negligible, even in cases with a million leaves and small tensors. QuTree focuses on providing simple, high-level routines while retaining easy access to the backend to facilitate novel developments. We demonstrate the capabilities of the package by computing the eigenstates of coupled harmonic oscillator Hamiltonians and performing random circuit simulations on a virtual quantum computer.
Stichworte
Coupled oscillators; Potential energy surfaces; Harmonic oscillator; Machine learning; Density matrix renormalization group; Quantum state; Tensor network theory; Quantum computing
Erscheinungsjahr
2024
Zeitschriftentitel
The Journal of Chemical Physics
Band
160
Ausgabe
11
ISSN
0021-9606
eISSN
1089-7690
Page URI
https://pub.uni-bielefeld.de/record/2988050

Zitieren

Ellerbrock R, Johnson KG, Seritan S, et al. QuTree: A tree tensor network package. The Journal of Chemical Physics. 2024;160(11).
Ellerbrock, R., Johnson, K. G., Seritan, S., Hoppe, H., Zhang, J. H., Lenzen, T., Weike, T., et al. (2024). QuTree: A tree tensor network package. The Journal of Chemical Physics, 160(11). https://doi.org/10.1063/5.0180233
Ellerbrock, Roman, Johnson, K. Grace, Seritan, Stefan, Hoppe, Hannes, Zhang, J. H., Lenzen, Tim, Weike, Thomas, Manthe, Uwe, and Martínez, Todd J. 2024. “QuTree: A tree tensor network package”. The Journal of Chemical Physics 160 (11).
Ellerbrock, R., Johnson, K. G., Seritan, S., Hoppe, H., Zhang, J. H., Lenzen, T., Weike, T., Manthe, U., and Martínez, T. J. (2024). QuTree: A tree tensor network package. The Journal of Chemical Physics 160.
Ellerbrock, R., et al., 2024. QuTree: A tree tensor network package. The Journal of Chemical Physics, 160(11).
R. Ellerbrock, et al., “QuTree: A tree tensor network package”, The Journal of Chemical Physics, vol. 160, 2024.
Ellerbrock, R., Johnson, K.G., Seritan, S., Hoppe, H., Zhang, J.H., Lenzen, T., Weike, T., Manthe, U., Martínez, T.J.: QuTree: A tree tensor network package. The Journal of Chemical Physics. 160, (2024).
Ellerbrock, Roman, Johnson, K. Grace, Seritan, Stefan, Hoppe, Hannes, Zhang, J. H., Lenzen, Tim, Weike, Thomas, Manthe, Uwe, and Martínez, Todd J. “QuTree: A tree tensor network package”. The Journal of Chemical Physics 160.11 (2024).
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