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Quantum Emulation of Molecular Force Fields: A Blueprint for a Superconducting Architecture

Diego González Olivares, Borja Peropadre, Joonsuk Huh, and Juan José García-Ripoll
Phys. Rev. Applied 8, 064008 – Published 8 December 2017

Abstract

In this work, we propose a flexible architecture of microwave resonators with tunable couplings to perform quantum simulations of problems from the field of molecular chemistry. The architecture builds on the experience of the D-Wave design, working with nearly harmonic circuits instead of qubits. This architecture, or modifications of it, can be used to emulate molecular processes such as vibronic transitions. Furthermore, we discuss several aspects of these emulations, such as dynamical ranges of the physical parameters, quenching times necessary for diabaticity, and, finally, the possibility of implementing anharmonic corrections to the force fields by exploiting certain nonlinear features of superconducting devices.

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  • Received 11 November 2016

DOI:https://doi.org/10.1103/PhysRevApplied.8.064008

© 2017 American Physical Society

Physics Subject Headings (PhySH)

Interdisciplinary PhysicsQuantum Information, Science & Technology

Authors & Affiliations

Diego González Olivares1, Borja Peropadre2, Joonsuk Huh3, and Juan José García-Ripoll4

  • 1Instituto de Física Fundamental IFF-CSIC, Calle Serrano 113b, Madrid E-28006, Spain
  • 2Quantum Information Processing group, Raytheon BBN Technologies, 10 Moulton Street, Cambridge, Massachusetts 02138, United States
  • 3Department of Chemistry, Sungkyunkwan University, Suwon 440-746, Korea
  • 4Instituto de Física Fundamental IFF-CSIC, Calle Serrano 113b, E-28006 Madrid, Spain

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Issue

Vol. 8, Iss. 6 — December 2017

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Images

  • Figure 1
    Figure 1

    When a molecule is electronically excited, it experiences a sudden change in its force field. This change leads to an effective quench which excites the phonon degrees of freedom. After this quench, the molecule may relax to the new ground state by releasing its excess energy.

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  • Figure 2
    Figure 2

    Schematic representation of a scalable architecture of superconducting resonators (the black tubes) connected by tunable interactions at their intersections (the red boxes), and with tunable inductors to change their frequency (the top boxes). Each resonator may or may not be coupled to an additional qubit (the circle) for preparation and measurement purposes.

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  • Figure 3
    Figure 3

    (a) Superconducting circuit formed by a couple of Josephson junctions in a SQUID configuration and an associated linear inductance. (b) Energy curves of the circuit potential in Eq. (25), for (L/LJ,Φ/φ0)=(0,0),(0.5,0),(0.7,π/2), and (0.9,π/4), from bottom to top. Curves have been shifted arbitrarily upwards for better visibility.

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  • Figure 4
    Figure 4

    Scaling of vector norm differences during a quantum quench of duration Tsw in the formic acid molecule, estimated from the exact time evolution of the system described by Hamilton’s equations from a complete and orthogonal set of initial conditions. It is observed that the mean value of these differences (the solid line) increases linearly with Tsw, which is consistent with the obtained bounds (see Appendix pp2). The variance from the mean of this set of norm differences (the dashed lines) is shown around the mean value and is found to be small for short times, TswΩmax1.

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