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Cambridge University Press eBooks

Quantum adiabatic algorithm

Alexander M. Dalzell, Sam McArdle, Mario Berta, Przemyslaw Bienias, Chi-Fang Chen, András Gilyén, Connor T. Hann, Michael J. Kastoryano, Emil T. Khabiboulline, Aleksander Kubica, Grant Salton, Samson Wang, Fernando G. S. L. Brandão

Published Apr 24, 2025• 0 citations
Publisher

Abstract

This chapter covers the quantum adiabatic algorithm, a quantum algorithmic primitive for preparing the ground state of a Hamiltonian. The quantum adiabatic algorithm is a prominent ingredient in quantum algorithms for end-to-end problems in combinatorial optimization and simulation of physical systems. For example, it can be used to prepare the electronic ground state of a molecule, which is used as an input to quantum phase estimation to estimate the ground state energy.

DOI
10.1017/9781009639651.019

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This chapter covers the quantum adiabatic algorithm, a quantum algorithmic primitive for preparing the ground state of a Hamiltonian. The quantum adiabatic algorithm is a prominent ingredient in quantum algorithms for end-to-end problems in combinatorial optimization and simulation of physical systems. For example, it can be used to prepare the electronic ground state of a molecule, which is used as an input to quantum phase estimation to estimate the ground state energy.
This chapter covers the quantum algorithmic primitive called quantum phase estimation. Quantum phase estimation is an essential quantum algorithmic primitive that computes an estimate for the eigenvalue of a unitary operator, given as input an eigenstate of the operator. It features prominently in many end-to-end quantum algorithms, for example, computing ground state energies of physical systems in the areas of condensed matter physics and quantum chemistry. We carefully discuss nuances of quantum phase estimation that appear when it is applied to a superposition of eigenstates with different eigenvalues.
Abstract In this chapter, we present quantum algorithms to approximate Hamiltonian eigenstates. We start discussing the quantum phase estimation algorithms, an important subroutine that allows us to approximate eigenpairs of a Hamiltonian operator given an initial guess and a quantum circuit implementing the time evolution operator. We then present the adiabatic state preparation, a technique to transform the ground state of a Hamiltonian into the ground state of another Hamiltonian. We describe two important heuristic methods, the quantum approximate optimization algorithm, and the variational quantum eigensolver. The second part of the chapter discusses concrete applications in the field of quantum chemistry. After introducing the Born-Oppenheimer Hamiltonian in second quantization and the Hartree-Fock method, we illustrate how a chemical problem can be mapped onto a quantum computer. We conclude the chapter with the simulation of the hydrogen molecule in a minimal basis with the iterative phase estimation algorithm.
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient methods for the exact simulation of quantum systems on classical computers presents a limitation of current computational approaches. We report, in detail, how a set of pre-computed molecular integrals can be used to explicitly create a quantum circuit, i.e. a sequence of elementary quantum operations, that, when run on a quantum computer, obtains the energy of a molecular system with fixed nuclear geometry using the quantum phase estimation algorithm. We extend several known results related to this idea and discuss the adiabatic state preparation procedure for preparing the input states used in the algorithm. With current and near future quantum devices in mind, we provide a complete example using the hydrogen molecule of how a chemical Hamiltonian can be simulated using a quantum computer.
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient methods for the exact simulation of quantum systems on classical computers presents a limitation of current computational approaches. We report, in detail, how a set of pre-computed molecular integrals can be used to explicitly create a quantum circuit, i.e. a sequence of elementary quantum operations, that, when run on a quantum computer, obtains the energy of a molecular system with fixed nuclear geometry using the quantum phase estimation algorithm. We extend several known results related to this idea and discuss the adiabatic state preparation procedure for preparing the input states used in the algorithm. With current and near future quantum devices in mind, we provide a complete example using the hydrogen molecule of how a chemical Hamiltonian can be simulated using a quantum computer.
Background: Solving nuclear many-body problems with an ab initio approach is widely recognized as a computationally challenging problem. Quantum computers offer a promising path to address this challenge. There are urgent needs to develop quantum algorithms for this purpose. Objective: In this work, we explore the application of the quantum algorithm of adiabatic state preparation with quantum phase estimation in ab initio nuclear structure theory. We focus on solving the low-lying spectra (including both the ground and excited states) of simple nuclear systems. Ideas: The efficiency of this algorithm is hindered by the emergence of small energy gaps (level crossings) during the adiabatic evolution. In order to improve the efficiency, we introduce techniques to avoid level crossings: 1) by suitable design of the reference Hamiltonian; 2) by insertions of perturbation terms to modify the adiabatic path. Results: We illustrate this algorithm by solving the deuteron ground state energy and the spectrum of the deuteron bounded in a harmonic oscillator trap implementing the IBM Qiskit quantum simulator. The quantum results agree well the classical results obtained by matrix diagonalization. Outlook: With our improvements to the efficiency, this algorithm provides a promising tool for investigating the low-lying spectra of complex nuclei on future quantum computers.
We devise a quantum-circuit algorithm to solve the ground state and ground energy of artificial graphene. The algorithm implements a Trotterized adiabatic evolution from a purely tight-binding Hamiltonian to one including kinetic, spin-orbit, and Coulomb terms. The initial state is obtained efficiently using Gaussian-state preparation, while the readout of the ground energy is organized into seventeen sets of measurements, irrespective of the size of the problem. The total depth of the corresponding quantum circuit scales polynomially with the size of the system. A full simulation of the algorithm is performed and ground energies are obtained for lattices with up to four hexagons. Our results are benchmarked with exact diagonalization for systems with one and two hexagons. For larger systems we use the exact state vector and approximate matrix product state simulation techniques. The latter allows us to systematically trade off precision with memory and therefore to tackle larger systems. We analyze adiabatic and Trotterization errors, providing estimates for optimal periods and time discretizations given a finite accuracy. In the case of large systems we also study approximation errors.