articlePhysical Review XJul 18, 2016GOLD OA

Scalable Quantum Simulation of Molecular Energies

PJP. J. J. O’MalleyRBR. BabbushIDI. D. KivlichanJRJ. RomeroJRJ. R. McClean

University of California, Santa Barbara · Google (United States) · +4 more institutions

Indexed inarxivcrossrefdoaj

Abstract

We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen using two distinct quantum algorithms. First, we experimentally execute the unitary coupled cluster method using the variational quantum eigensolver. Our efficient implementation predicts the correct dissociation energy to within chemical accuracy of the numerically exact result. Second, we experimentally demonstrate the canonical quantum algorithm for chemistry, which consists of Trotterization and quantum phase estimation. We compare the experimental performance of these…

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781
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Authors

32
  • PJ
    P. J. J. O’MalleyCorresponding

    University of California, Santa Barbara

  • RB
    R. Babbush

    Google (United States)

  • ID
    I. D. Kivlichan

    Harvard University

  • JR
    J. Romero

    Harvard University

  • JR
    J. R. McClean

    Lawrence Berkeley National Laboratory

Topics & keywords

Topics
Keywords
  • Quantum
  • Qubit
  • Quantum computer
  • Quantum algorithm
  • Quantum error correction
  • Quantum simulator
  • Coupled cluster
  • Unitary transformation
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