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    Dynamics

    Synthesis of Hidden Subgroup Quantum Algorithms and Quantum Chemical Dynamics
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    • Srinivasan S. Iyengar*
      Srinivasan S. Iyengar
      Department of Chemistry, Indiana University, Bloomington, Indiana 47405-7102, United States
      Quantum Science and Engineering Center (QSEc), Indiana University, Bloomington, Indiana 47405-7102, United States
      *Email: [email protected]
      More by Srinivasan S. Iyengar
      Orcidhttps://orcid.org/0000-0001-6526-2907
    • Anup Kumar
      Anup Kumar
      Department of Chemistry, Indiana University, Bloomington, Indiana 47405-7102, United States
      More by Anup Kumar
    • Debadrita Saha
      Debadrita Saha
      Department of Chemistry, Indiana University, Bloomington, Indiana 47405-7102, United States
      More by Debadrita Saha
    • Amr Sabry*
      Amr Sabry
      Quantum Science and Engineering Center (QSEc), Indiana University, Bloomington, Indiana 47405-7102, United States
      Department of Computer Science, Luddy School of Informatics, Computing, and Engineering, Indiana University, Bloomington, Indiana 47405-7102, United States
      *Email: [email protected]
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    Journal of Chemical Theory and Computation

    Cite this: J. Chem. Theory Comput. 2023, 19, 18, 6082–6092
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    https://doi.org/10.1021/acs.jctc.3c00404
    Published September 13, 2023
    Copyright © 2023 American Chemical Society
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    Abstract

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    We describe a general formalism for quantum dynamics and show how this formalism subsumes several quantum algorithms, including the Deutsch, Deutsch–Jozsa, Bernstein–Vazirani, Simon, and Shor algorithms as well as the conventional approach to quantum dynamics based on tensor networks. The common framework exposes similarities among quantum algorithms and natural quantum phenomena: we illustrate this connection by showing how the correlated behavior of protons in water wire systems that are common in many biological and materials systems parallels the structure of Shor’s algorithm.

    Copyright © 2023 American Chemical Society

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    Journal of Chemical Theory and Computation

    Cite this: J. Chem. Theory Comput. 2023, 19, 18, 6082–6092
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jctc.3c00404
    Published September 13, 2023
    Copyright © 2023 American Chemical Society
    Request reuse permissions

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