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arXiv:quant-ph/9908012 · Physical Review A

Quantum simulation of a three-body-interaction Hamiltonian on an NMR quantum computer

Ching-Hsiang Tseng, Shyamal S. Somaroo, Yehuda Sharf, Emanuel H. Knill, Raymond Laflamme, Timothy F. Havel, David G. Cory

Published Dec 10, 1999• 129 citations
arXivHTMLPDF

Abstract

Extensions of average Hamiltonian theory to quantum computation permit the design of arbitrary Hamiltonians, allowing rotations throughout a large Hilbert space. In this way, the kinematics and dynamics of any quantum system may be simulated by a quantum computer. A basis mapping between the systems dictates the average Hamiltonian in the quantum computer needed to implement the desired Hamiltonian in the simulated system. The flexibility of the procedure is illustrated with NMR on ${}^{13}\mathrm{C}$ labeled alanine by creating the nonphysical Hamiltonian ${\ensuremath{\sigma}}_{z}{\ensuremath{\sigma}}_{z}{\ensuremath{\sigma}}_{z}$ corresponding to a three-body interaction.

DOI
10.1103/physreva.61.012302

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Extensions of average Hamiltonian theory to quantum computation permit the design of arbitrary Hamiltonians, allowing rotations throughout a large Hilbert space. In this way, the kinematics and dynamics of any quantum system may be simulated by a quantum computer. A basis mapping between the systems dictates the average Hamiltonian in the quantum computer needed to implement the desired Hamiltonian in the simulated system. The flexibility of the procedure is illustrated with NMR on 13C{}^{13}\mathrm{C}13C labeled alanine by creating the nonphysical Hamiltonian \ensuremathσz\ensuremathσz\ensuremathσz{\ensuremath{\sigma}}_{z}{\ensuremath{\sigma}}_{z}{\ensuremath{\sigma}}_{z}\ensuremathσz​\ensuremathσz​\ensuremathσz​ corresponding to a three-body interaction.
Abstract. Quantum simulation is a promising near term application for quantum information processors with the potential to solve computationally intractable problems using just a few dozen interacting qubits [1, 2, 3]. A range of experimental platforms have recently demonstrated the basic functionality of quantum simulation applied to quantum magnetism, quantum phase transitions, and relativistic quantum mechanics [4, 5, 6, 7, 8, 9, 10, 11]. However, in all cases, the physics of the underlying hardware restricts the achievable inter-particle interactions and forms a serious constraint on the versatility of the simulators. To broaden the scope of these analog devices, we develop a suite of pulse sequences that permit a user to efficiently realize average Hamiltonians that are beyond the native interactions of the system [12, 13]. Specifically, this approach permits the generation of all symmetrically coupled translation-invariant two-body Hamiltonians with homogeneous on-site terms, a class which includes all spin-1/2 XYZ chains, but generalized to include long-range couplings. Our work builds on previous work proving that universal simulation is possible using both entangling gates and single-qubit unitaries [14, 15, 16]. We show that determining the appropriate “program ” of unitary pulse sequences which implements an arbitrary Hamiltonian transformation can be formulated as a linear program over functions defined by those pulse sequences, running in polynomial time and scaling efficiently in hardware resources. Our analysis extends from circuit model quantum information to adiabatic quantum evolutions, representing an important and broad-based success in applying functional analysis to the field of quantum information. ar X iv
What interactions are sufficient to simulate arbitrary quantum dynamics in a composite quantum system? Dodd et al. [Phys. Rev. A 65, 040301(R) (2002)] provided a partial solution to this problem in the form of an efficient algorithm to simulate any desired two-body Hamiltonian evolution using any fixed two-body entangling N-qubit Hamiltonian, and local unitaries. We extend this result to the case where the component systems are qudits, that is, have D dimensions. As a consequence we explain how universal quantum computation can be performed with any fixed two-body entangling N-qudit Hamiltonian, and local unitaries.
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Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schrödinger equation with the wavefunction formalism. It is yet limited to small systems, as their size is dictated by the number of qubits available. Computations on large systems rely mainly on mean-field-type approaches such as density functional theory, for which no quantum advantage has been envisioned so far. In this work, we question this a priori by proposing a counter-intuitive mapping from the non-interacting to an auxiliary interacting Hamiltonian that may provide the desired advantage.
The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially with respect to the spin system's atom count, the calculation of the eigenvalues and eigenvectors marks the performance of the overall process. The aim of this paper is to provide a formalization of the complete procedure of the simulation of a spin system's NMR spectrum while also explaining how to diagonalize the Hamiltonian matrix with a quantum computer, thus enhancing the overall process's performance. Two well-known quantum algorithms for calculating the eigenvalues of a matrix are analyzed and put to the test in this context: quantum phase estimation and the variational quantum eigensolver. Additionally, we present simulated results for the later approach while also addressing the hypothetical noise found in a physical quantum computer.