We numerically emulate noisy intermediate-scale quantum (NISQ) devices and determine the minimal hardware requirements for two-site hybrid quantum-classical dynamical mean-field theory (DMFT). We develop a circuit recompilation algorithm which significantly reduces the number of quantum gates of the DMFT algorithm and find that the quantum-classical algorithm converges if the two-qubit gate fidelities are larger than 99%. The converged results agree with the exact solution within 10%, and perfect agreement within noise-induced error margins can be obtained for two-qubit gate fidelities exceeding 99.9%. By comparison, the quantum-classical algorithm without circuit recompilation requires a two-qubit gate fidelity of at least 99.999% to achieve perfect agreement with the exact solution. We thus find quantum-classical DMFT calculations can be run on the next generation of NISQ devices if combined with the recompilation techniques developed in this work.
The developments of quantum computing algorithms and experiments for atomic scale simulations have largely focused on quantum chemistry for molecules, while their application in condensed matter systems is scarcely explored. Here we present a quantum algorithm to perform dynamical mean field theory (DMFT) calculations for condensed matter systems on currently available quantum computers, and demonstrate it on two quantum hardware platforms. DMFT is required to properly describe the large class of materials with strongly correlated electrons. The computationally challenging part arises from sol…
We propose an algorithm to obtain Green's functions as a continued fraction on quantum computers, which is based on the construction of the Krylov basis using variational quantum algorithms, and included in a Lanczos iterative scheme. This allows the integration of quantum algorithms with first principles material science simulations, as we demonstrate within the dynamical mean-field theory (DMFT) framework. DMFT enables quantitative predictions for strongly correlated materials, and relies on the calculation of Green's functions. On conventional computers the exponential growth of the Hilbert…
We report on a quantum-classical simulation of the single-band Hubbard model using two-site dynamical mean-field theory (DMFT). Our approach uses IBM's superconducting qubit chip to compute the zero-temperature impurity Green's function in the time domain and a classical computer to fit the measured Green's functions and extract their frequency domain parameters. We find that the quantum circuit synthesis (Trotter) and hardware errors lead to incorrect frequency estimates, and subsequently to an inaccurate quasiparticle weight when calculated from the frequency derivative of the self-energy. T…
Dynamical mean-field theory (DMFT) maps the local Green's function of the Hubbard model to that of the Anderson impurity model and thus gives an approximate solution of the Hubbard model from the solution of simpler quantum impurity model. Quantum and hybrid quantum-classical algorithms have been proposed to efficiently solve impurity models by preparing and evolving the ground state under the impurity Hamiltonian on a quantum computer that is assumed to have the scalability and accuracy far beyond the current state-of-the-art quantum hardware. As a proof of principle demonstration targeting t…
Efficient Quantum Implementation of Dynamical Mean Field Theory for Correlated Materials
North Carolina State University（北卡罗来纳州立大学）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；University of Central Florida（中佛罗里达大学）；Joint Center for Quantum Information and Computer Science, University of Maryland and NIST（马里兰大学和NIST量子信息与计算科学联合中心）；Univ Toulouse, CNRS, Laboratoire de Physique Théorique（图卢兹大学、法国国家科学研究中心、理论物理实验室）；National Energy Research Scientific Computing Center, Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室国家能源研究科学计算中心）
We consider the minimum vertex cover problem having applications in e.g. biochemistry and network security. Quantum annealers can find the optimum solution of such NP-hard problems, given they can be embedded on the hardware. This is often infeasible due to limitations of the hardware connectivity structure. This paper presents a decomposition algorithm for the minimum vertex cover problem: The algorithm recursively divides an arbitrary problem until the generated subproblems can be embedded and solved on the annealer. To speed up the decomposition, we propose several pruning and reduction tec…
Quantum computers are currently accessible through a cloud-based platform that allows users to run their programs on a suite of quantum hardware. As the quantum computing ecosystem grows in popularity and utility, it is reasonable to expect more companies, including untrustworthy or untrustworthy or unreliable vendors, to begin offering quantum computers as hardware as a service at various price or performance points. Since computing time on quantum hardware is expensive and the access queue may be long, users will be enticed to use less expensive but less reliable or trustworthy hardware. Les…
We consider an approach to fault tolerant quantum computing based on a simple error detecting code operating as the substrate for a conventional surface code. We develop a customised decoder to process the information about the likely location of errors, obtained from the error detect stage, with an advanced variant of the minimum weight perfect matching algorithm. A threshold gate-level error rate of 1.42% is found for the concatenated code given highly asymmetric noise. This is superior to the standard surface code and remains so as we introduce a significant component of depolarising noise;…
We consider a range of unconventional modifications to Quantum Annealing (QA), applied to an artificial trial problem with continuously tunable difficulty. In this problem, inspired by "transverse field chaos" in larger systems, classical and quantum methods are steered toward a false local minimum. To go from this local minimum to the global minimum, all N spins must flip, making this problem exponentially difficult to solve. We numerically study this problem by using a variety of new methods from the literature: inhomogeneous driving, adding transverse couplers, and other types of coherent o…
Adiabatic quantum computing and optimization have garnered much attention recently as possible models for achieving a quantum advantage over classical approaches to optimization and other special purpose computations. Both techniques are probabilistic in nature and the minimum gap between the ground state and first excited state of the system during evolution is a major factor in determining the success probability. In this work we investigate a strategy for increasing the minimum gap and success probability by introducing intermediate Hamiltonians that modify the evolution path between initia…
In this work we investigate a binned version of Quantum Phase Estimation (QPE) set out by [Somma 2019] and known as the Quantum Eigenvalue Estimation Problem (QEEP). Specifically, we determine whether the circuit decomposition techniques we set out in previous work, [Clinton et al 2020], can improve the performance of QEEP in the NISQ regime. To this end we adopt a physically motivated abstraction of NISQ device capabilities as in [Clinton et al 2020]. Within this framework, we find that our techniques reduce the threshold at which it becomes possible to perform the minimum two-bin instance of…
NP-hard problems such as the maximum clique or minimum vertex cover problems, two of Karp's 21 NP-hard problems, have several applications in computational chemistry, biochemistry and computer network security. Adiabatic quantum annealers can search for the optimum value of such NP-hard optimization problems, given the problem can be embedded on their hardware. However, this is often not possible due to certain limitations of the hardware connectivity structure of the annealer. This paper studies a general framework for a decomposition algorithm for NP-hard graph problems aiming to identify an…
Quantum computation promises significant computational advantages over classical computation for some problems. However, quantum hardware suffers from much higher error rates than in classical hardware. As a result, extensive quantum error correction is required to execute a useful quantum algorithm. The decoder is a key component of the error correction scheme whose role is to identify errors faster than they accumulate in the quantum computer and that must be implemented with minimum hardware resources in order to scale to the regime of practical applications. In this work, we consider surfa…
Extensive quantum error correction is necessary in order to scale quantum hardware to the regime of practical applications. As a result, a significant amount of decoding hardware is necessary to process the colossal amount of data required to constantly detect and correct errors occurring over the millions of physical qubits driving the computation. The implementation of a recent highly optimized version of Shor's algorithm to factor a 2,048-bits integer would require more 7 TBit/s of bandwidth for the sole purpose of quantum error correction and up to 20,000 decoding units. To reduce the deco…
Solving the electronic structure problem using the Variational Quantum Eigensolver (VQE) technique involves measurement of the Hamiltonian expectation value. Current hardware can perform only projective single-qubit measurements, and thus, the Hamiltonian expectation value is obtained by measuring parts of the Hamiltonian rather than the full Hamiltonian. This restriction makes the measurement process inefficient because the number of terms in the Hamiltonian grows as $O(N^4)$ with the size of the system, $N$. To optimize VQE measurement one can try to group as many Hamiltonian terms as possib…
The Variational Quantum Eigensolver approach to the electronic structure problem on a quantum computer involves measurement of the Hamiltonian expectation value. Formally, quantum mechanics allows one to measure all mutually commuting or compatible operators simultaneously. Unfortunately, the current hardware permits measuring only a much more limited subset of operators that share a common tensor product eigen-basis. We introduce unitary transformations that transform any fully commuting group of operators to a group that can be measured on current hardware. These unitary operations can be en…
Using optimal phasor measurement unit placement as a prototypical problem, we assess the computational viability of the current generation D-Wave Systems 2000Q quantum annealer for power systems design problems. We reformulate minimum dominating set for the annealer hardware, solve the reformulation for a standard set of IEEE test systems, and benchmark solution quality and time to solution against the CPLEX Optimizer and simulated annealing. For some problem instances the 2000Q outpaces CPLEX. For instances where the 2000Q underperforms with respect to CPLEX and simulated annealing, we sugges…
This paper analyses a classical and a quantum annealing approach to compute the minimum deployment of Quantum Key Distribution (QKD) hardware in a tier 1 provider network. The ensemble of QKD systems needs to be able to exchange as many encryption keys between all network nodes in order to encrypt the data payload, which is defined by traffic demand matrices. Redundancy and latency requirements add additional boundary conditions. The result of the optimization problem yields a classical heuristic network planners may utilize for planning future QKD quantum networks.
Parametric quantum circuits play a crucial role in the performance of many variational quantum algorithms. To successfully implement such algorithms, one must design efficient quantum circuits that sufficiently approximate the solution space while maintaining a low parameter count and circuit depth. In this paper, we develop a method to analyze the dimensional expressivity of parametric quantum circuits. Our technique allows for identifying superfluous parameters in the circuit layout and for obtaining a maximally expressive ansatz with a minimum number of parameters. Using a hybrid quantum-cl…
While quantum computing proposes promising solutions to computational problems not accessible with classical approaches, due to current hardware constraints, most quantum algorithms are not yet capable of computing systems of practical relevance, and classical counterparts outperform them. To practically benefit from quantum architecture, one has to identify problems and algorithms with favorable scaling and improve on corresponding limitations depending on available hardware. For this reason, we developed an algorithm that solves integer linear programming problems, a classically NP-hard prob…
Surface codes are generally studied based on the assumption that each of the qubits that make up the surface code lattice suffers noise that is independent and identically distributed (i.i.d.). However, real benchmarks of the individual relaxation ($T_1$) and dephasing ($T_2$) times of the constituent qubits of state-of-the-art quantum processors have recently shown that the decoherence effects suffered by each particular qubit actually vary in intensity. In consequence, in this article we introduce the independent non-identically distributed (i.ni.d.) noise model, a decoherence model that acc…
