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Cited by 116Quantum Computing Algorithms and ArchitectureQuantum many-body systemsAdvanced Chemical Physics Studies

Calculating the thermal rate constant with exponential speedup on a quantum computer

Open access
Lidar, Daniel A., Wang, Haobin·1999·Physical Review E
DOI 10.1103/physreve.59.2429
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Abstract

It is shown how to formulate the ubiquitous quantum chemistry problem of calculating the thermal rate constant on a quantum computer. The resulting exact algorithm scales exponentially faster with the dimensionality of the system than all known ``classical'' algorithms for this problem.

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Crossref · 10.1103/physreve.59.2429

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115 of 115 references verified0 citation errors · 0 not checkable

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  • The first quantum algorithms suited particularly for quantum chemistry appeared as early as the late 1990s, including simulating fermionic Hamiltonians and calculating thermal rate constants efficiently.

    “The first quantum algorithms suited particularly for quantum chemistry appeared as early as the late 1990s. These include, for instance, simulating fermionic Hamiltonians 43 and the quantum algorithm for calculating thermal rate constant efficiently 44 .”

    From Quantum Chemistry in the Age of Quantum Computing (2019) · cites this paper as [43]

  • Quantum computers avoid the dynamical sign problem, providing a more effective alternative to classical methods for quantum simulation.

    “It has been shown that quantum computers avoid the dynamical sign problem 43 providing a more effective alternative to classical methods for quantum simulation.”

    From Quantum Chemistry in the Age of Quantum Computing (2019) · cites this paper as [43]

  • Quantum computation circumvents the main issues encountered in classical methods by maintaining a highly entangled quantum state that may not admit an efficient classical description, enabling a fundamentally different approach to realizing unitary evolution and avoiding the dynamical sign problem.

    “Quantum computation circumvents the main issues encountered in classical methods by maintaining a highly entangled quantum state which may not admit efficient classical description, enabling a fundamentally different approach to realizing the unitary evolution and in doing so avoids the dynamical sign problem 43 .”

    From Quantum Chemistry in the Age of Quantum Computing (2019) · cites this paper as [43]

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Authors
Lidar, D. A., & Wang, H.
Affiliations
University of California, Berkeley (US)
ORCID
Venue
Physical Review E
Publisher
American Physical Society (APS)
Published
1999-02-01
Volume
59
Issue
2
Pages
2429-2438
ISSN
  • 1063-651X (ISSN-L)
  • 1095-3787
DOI
10.1103/physreve.59.2429
OpenAlex
W1997740743
Cited by
115
References
115
Citations by year
2026: 5 · 2025: 7 · 2024: 1 · 2023: 3 · 2022: 6 · 2021: 9 · 2020: 4 · 2019: 5 · 2018: 7 · 2017: 3 · 2016: 2 · 2015: 3 · 2014: 15 · 2013: 4 · 2012: 6
FWCI
0.83
Type
journal article
Language
en
Open access
Licence
link.aps.org/licenses/aps-default-license (vor)
Locations
  • Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics (publishedVersion)
  • arXiv (Cornell University) (submittedVersion)
  • arXiv (Cornell University)
Topics
  • Physical Sciences › Computer Science › Artificial Intelligence › Quantum Computing Algorithms and Architecture
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Quantum many-body systems
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
Keywords
thermal rate constants, quantum computing, quantum algorithms, exponential speedup, reaction rate, quantum chemistry, algorithmic complexity

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