Computational Methods for Simulating Quantum Computers
H. De Raedt, K. Michielsen
备注：
Published in: Handbook of Theoretical and Computational Nanotechnology Vol. 3: Quantum and molecular computing, quantum simulations, Chapter 1, pp. 2 - 48, M. Rieth and W. Schommers eds.,American Scientific Publisher, Los Angeles (2006)
This review gives a survey of numerical algorithms and software to simulate quantum computers. It covers the basic concepts of quantum computation and quantum algorithms and includes a few examples that illustrate the use of simulation software for ideal and physical models of quantum computers.
We demonstrate that it is possible to simulate Bell violations using probabilistic methods. A quantum state corresponding to optical experiments that violate the Bell inequality is generated, demonstrating that these quantum paradoxes can indeed be simulated probabilistically. This provides an explicit counter-example to Feynman's claim that such classical simulations could not be carried out.
The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, p…
A Quantum Computer is a new type of computer which can solve problems such as factoring and database search very efficiently. The usefulness of a quantum computer is limited by the effect of two different types of errors, decoherence and inaccuracies. In this paper we show the results of simulations of a quantum computer which consider both decoherence and inaccuracies. We simulate circuits which factor the numbers 15, 21, 35, and 57 as well as circuits which use database search to solve the circuit satisfaction problem. Our simulations show that the error rate per gate is on the order of 10^-…
We optimise a translationally invariant, sequential quantum circuit on a superconducting quantum device to simulate the groundstate of the quantum Ising model through its quantum critical point. We further demonstrate how the dynamical quantum critical point found in quenches of this model across its quantum critical point can be simulated. Our approach avoids finite-size scaling effects by using sequential quantum circuits inspired by infinite matrix product states. We provide efficient circuits and a variety of error mitigation strategies to implement, optimise and time-evolve these states.
We examine the problem of simulating lattice gauge theories on a universal quantum computer. The basic strategy of our approach is to transcribe lattice gauge theories in the Hamiltonian formulation into a Hamiltonian involving only Pauli spin operators such that the simulation can be performed on a quantum computer using only one and two qubit manipulations. We examine three models, the U(1), SU(2), and SU(3) lattice gauge theories which are transcribed into a spin Hamiltonian up to a cutoff in the Hilbert space of the gauge fields on the lattice. The number of qubits required for storing a p…
Recently Quantum Computation has generated a lot of interest due to the discovery of a quantum algorithm which can factor large numbers in polynomial time. The usefulness of a quantum com puter is limited by the effect of errors. Simulation is a useful tool for determining the feasibility of quantum computers in the presence of errors. The size of a quantum computer that can be simulat ed is small because faithfully modeling a quantum computer requires an exponential amount of storage and number of operations. In this paper we define simulation models to study the feasibility of quantum comput…
Presented here is an algorithm for a type-II quantum computer which simulates the Ising model in one and two dimensions. It is equivalent to the Metropolis Monte-Carlo method and takes advantage of quantum superposition for random number generation. This algorithm does not require the ensemble of states to be measured at the end of each iteration, as is required for other type-II algorithms. Only the binary result is measured at each node which means this algorithm could be implemented using a range of different quantum computing architectures. The Ising model provides an example of how cellul…
Noise dominates every aspect of near-term quantum computers, rendering it exceedingly difficult to carry out even small computations. In this paper we are concerned with the modelling of noise in Noisy Intermediate-Scale Quantum (NISQ) computers. We focus on three error groups that represent the main sources of noise during a computation and present quantum channels that model each source. We engineer a noise model that combines all three noise channels and simulates the evolution of the quantum computer using its calibrated error rates. We run various experiments of our model, showcasing its …
We estimate the resource requirements for the quantum simulation of the ground state energy of the one dimensional quantum transverse Ising model (TIM), based on the surface code implementation of a fault tolerant quantum computer. The surface code approach has one of the highest known tolerable error rates (1%) which makes it currently one of the most practical quantum computing schemes. Compared to results of the same model using the concatenated Steane code, the current results indicate that the simulation time is comparable but the number of physical qubits for the surface code is 2-3 orde…
Quantum computing is an emerging technology, promising a paradigm shift in computing, and allowing for speedups in many different problems. However, quantum devices are still in their early stages, most with only a small number qubits. This places a reliance on simulation to develop quantum algorithms and to verify these devices. While there exists many algorithms for the simulation of quantum circuits, there is (at the time of writing) no tools which use OpenCL to parallelize this simulation, thereby taking advantage of devices such as GPUs while still remaining portable. In this paper, such …
Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible. While variational quantum eigensolver (VQE) algorithms may already turn noisy intermediate scale quantum (NISQ) devices into useful machines, one has to make all efforts to use the scarce quantum resources as efficiently as possible. We combine the so-called seniority-zero, or paired-electron, approximation of computational quantum chemistry with techniques f…
Simulating Electron Transfer on Noisy Quantum Computers
Institute of Engineering Thermodynamics, German Aerospace Center (DLR)（德国航空航天中心工程热力学研究所）；Helmholtz Institute Ulm（乌尔姆亥姆霍兹研究所）；Institute of Software Technology, German Aerospace Center (DLR)（德国航空航天中心软件技术研究所）；HQS Quantum Simulations GmbH（HQS量子模拟有限公司）；Department of Physics, Ulm University（乌尔姆大学物理系）
Indian Institute of Engineering Science And Technology（印度工程科学理工学院）；University of Waterloo（滑铁卢大学）；Institute for Quantum Computing, University of Waterloo（滑铁卢大学量子计算研究所）；Indian Institute of Science Education and Research, Thiruvananthapuram（特鲁万纳姆拉浦尔印度科学教育与研究学院）；Wilfrid Laurier University（威尔弗里德·劳雷尔大学）
本文提出一种经典-量子混合方法，利用NISQ量子计算机模拟量子 kicked top 的混沌行为，展示了其在不同混沌参数范围内的实验探索能力，并验证了纠缠与去局部化的理论预测。
Two qubit density matrices, which are of X-shape, are a natural generalization of Bell Diagonal States (BDSs) recently simulated on the IBM quantum device. We generalize the previous results and propose a quantum circuit for simulation of a general two qubit X-state, implement it on the same quantum device, and study its entanglement for several values of the extended parameter space. We also show that their X-shape is approximately robust against noisy quantum gates. To further physically motivate this study, we invoke the two-spin Heisenberg XYZ system and show that for a wide class of initi…
The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE algorithm for simulating extended systems. However, the numerical study of an one-dimensional (1D) infinite hydrogen chain using existing VQE algorithms shows a remarkable deviation of the ground state energy with respect to the exact full configuration interaction (FCI) result. Here, we present two schemes to improve the accuracy of quantum simulations for ex…
Quantum computers are a promising candidate to radically expand computational science through increased computing power and more effective algorithms. In particular quantum computing could have a tremendous impact in the field of quantum cosmology. The goal of quantum cosmology is to describe the evolution of the Universe through the Wheeler-DeWitt equation or path integral methods without having to first formulate a full theory of quantum gravity. The quantum computer provides an advantage in this endeavor because it can perform path integrals in Lorentzian space and does not require construc…
Algorithms are described for efficiently simulating quantum mechanical systems on quantum computers. A class of algorithms for simulating the Schrodinger equation for interacting many-body systems are presented in some detail. These algorithms would make it possible to simulate nonrelativistic quantum systems on a quantum computer with an exponential speedup compared to simulations on classical computers. Issues involved in simulating relativistic systems of Dirac and gauge particles are discussed.
Variational quantum eigensolver (VQE) is promising to show quantum advantage on near-term noisy-intermediate-scale quantum (NISQ) computers. One central problem of VQE is the effect of noise, especially the physical noise on realistic quantum computers. We study systematically the effect of noise for the VQE algorithm, by performing numerical simulations with various local noise models, including the amplitude damping, dephasing, and depolarizing noise. We show that the ground state energy will deviate from the exact value as the noise probability increase and normally noise will accumulate as…
We simulate the dynamics of braiding Majorana zero modes on an IBM Quantum computer. We find the native quantum gates introduce too much noise to observe braiding. Instead, we use Qiskit Pulse to develop scaled two-qubit quantum gates that better match the unitary time evolution operator and enable us to observe braiding. This work demonstrates that quantum computers can be used for simulation, and highlights the use of pulse-level control for programming quantum computers and constitutes the first experimental evidence of braiding via dynamical Hamiltonian evolution.
We present a novel method for solving eigenvalue problems on a quantum computer based on spectroscopy. The method works by coupling a "probe" qubit to a set of system simulation qubits and then time evolving both the probe and the system under Hamiltonian dynamics. In this way, we simulate spectroscopy on a quantum computer. We test our method on the IBM quantum hardware for a simple single spin model and an interacting Kitaev chain model. For the Kitaev chain, we trace out the pseudo-topological phase boundary for a two-site model.
Modern cryptography is largely based on complexity assumptions, for example, the ubiquitous RSA is based on the supposed complexity of the prime factorization problem. Thus, it is of fundamental importance to understand how a quantum computer would eventually weaken these algorithms. In this paper, one follows Feynman's prescription for a computer to simulate the physics corresponding to the algorithm of factoring a large number $N$ into primes. Using Dirac-Jordan transformation theory one translates factorization into the language of quantum hermitical operators, acting on the vectors of the …
Error mitigation is likely to be key in obtaining near term quantum advantage. In this work we present one of the first implementations of several Clifford data regression based methods which are used to mitigate the effect of noise in real quantum data. We explore the dynamics of the 1-D Ising model with transverse and longitudinal magnetic fields, highlighting signatures of confinement. We find in general Clifford data regression based techniques are advantageous in comparison with zero-noise extrapolation and obtain quantitative agreement with exact results for systems of 9 qubits with circ…
Simulating the Dynamics of Markovian Quantum Processes by Quantum Collision Models on Quantum Computers
RIKEN Center for Computational Science（理化学研究所计算科学中心）；Q-CTRL；RIKEN Center for Quantum Computing（理化学研究所量子计算中心）；RIKEN Pioneering Research Institute（理化学研究所先导研究本部）；RIKEN Center for Emergent Matter Science（理化学研究所新兴物质科学中心）
The search for new, application-specific quantum computers designed to outperform any classical computer is driven by the ending of Moore's law and the quantum advantages potentially obtainable. Photonic networks are promising examples, with experimental demonstrations and potential for obtaining a quantum computer to solve problems believed classically impossible. This introduces a challenge: how does one design or understand such photonic networks? One must be able to calculate observables using general methods capable of treating arbitrary inputs, dissipation and noise. We develop novel com…
Master equations are probably the most fundamental equations for anyone working in quantum optics in the presence of dissipation. In this context it is then incredibly useful to have efficient ways of coding and simulating such equations in the computer, and in this notes I try to introduce in a comprehensive way how do I do so, focusing on Matlab, but making it general enough so that it can be directly translated to any other language or software of choice. I inherited most of my methods from Juan José García-Ripoll (whose numerical abilities I cannot praise enough), changing them here and th…
The one-dimensional Ising model with its connections to several physical concepts plays a vital role in comprehension of several principles, phenomena and numerical methods. The Hamiltonian of a coupled one-dimensional dissipative spin system in the presence of magnetic field can be obtained from the Ising model. We simulate the above Hamiltonian by designing a quantum circuit with precise gate measurement and execute with the IBMQ experience platform through different $N$ states with controlled energy separation where we can check quantum synchronization in a dissipative lattice system. Our r…
ArQTiC is an open-source, full-stack software package built for the simulations of materials on quantum computers. It currently can simulate materials that can be modeled by any Hamiltonian derived from a generic, one-dimensional, time-dependent Heisenberg Hamiltonain. ArQTiC includes modules for generating quantum programs for real- and imaginary-time evolution, quantum circuit optimization, connection to various quantum backends via the cloud, and post-processing of quantum results. By enabling users to seamlessly perform and analyze materials simulations on quantum computers by simply provi…
Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. Here we consider methods to make proposed chemical simulation algorithms computationally fast on fault-tolerant quantum computers in the circuit model. Fault tolerance constrains the choice of available gates, so that arbitrary gates required for a simulation algorithm must be constructed from sequences of fundamental operations. We examine techniques for constructing arbitrary gates which perform substantially faster than circuits based on the …
Universal quantum computers are potentially an ideal setting for simulating many-body quantum dynamics that is out of reach for classical digital computers. We use state-of-the-art IBM quantum computers to study paradigmatic examples of condensed matter physics -- we simulate the effects of disorder and interactions on quantum particle transport, as well as correlation and entanglement spreading. Our benchmark results show that the quality of the current machines is below what is necessary for quantitatively accurate continuous time dynamics of observables and reachable system sizes are small …
Quantum materials exhibit a wide array of exotic phenomena and practically useful properties. A better understanding of these materials can provide deeper insights into fundamental physics in the quantum realm as well as advance technology for entertainment, healthcare, and sustainability. The emergence of digital quantum computers (DQCs), which can efficiently perform quantum simulations that are otherwise intractable on classical computers, provides a promising path forward for testing and analyzing the remarkable, and often counter-intuitive, behavior of quantum materials. Equipped with the…
Quantum computers have the potential to efficiently simulate large-scale quantum systems for which classical approaches are bound to fail. Even though several existing quantum devices now feature total qubit numbers of more than one hundred, their applicability remains plagued by the presence of noise and errors. Thus, the degree to which large quantum systems can successfully be simulated on these devices remains unclear. Here, we report on cloud simulations performed on several of IBM's superconducting quantum computers to simulate ground states of spin chains having a wide range of system s…
Limited quantum memory is one of the most important constraints for near-term quantum devices. Understanding whether a small quantum computer can simulate a larger quantum system, or execute an algorithm requiring more qubits than available, is both of theoretical and practical importance. In this Letter, we introduce cluster parameters $K$ and $d$ of a quantum circuit. The tensor network of such a circuit can be decomposed into clusters of size at most $d$ with at most $K$ qubits of inter-cluster quantum communication. We propose a cluster simulation scheme that can simulate any $(K,d)$-clust…
We present efficient quantum algorithms for simulating time-dependent Hamiltonian evolution of general input states using an oracular model of a quantum computer. Our algorithms use either constant or adaptively chosen time steps and are significant because they are the first to have time-complexities that are comparable to the best known methods for simulating time-independent Hamiltonian evolution, given appropriate smoothness criteria on the Hamiltonian are satisfied. We provide a thorough cost analysis of these algorithms that considers discretizion errors in both the time and the represen…
We investigate the boundary between classical and quantum computational power. This work consists of two parts. First we develop new classical simulation algorithms that are centered on sampling methods. Using these techniques we generate new classes of classically simulatable quantum circuits where standard techniques relying on the exact computation of measurement probabilities fail to provide efficient simulations. For example, we show how various concatenations of matchgate, Toffoli, Clifford, bounded-depth, Fourier transform and other circuits are classically simulatable. We also prove th…
The driven-dissipative many-body problem remains one of the most challenging unsolved problems in quantum mechanics. The advent of quantum computers may provide a unique platform for efficiently simulating such driven-dissipative systems. But there are many choices for how one can engineer the reservoir. One can simply employ ancilla qubits to act as a reservoir and then digitally simulate them via algorithmic cooling. A more attractive approach, which allows one to simulate an infinite reservoir, is to integrate out the bath degrees of freedom and describe the driven-dissipative system via a …
Lasers and Bose-Einstein condensates (BECs) exhibit macroscopic quantum coherence in seemingly unrelated ways. Lasers possess a well-defined global phase and are characterized by large fluctuations in the number of photons. In BECs of atoms, instead, the number of particles is conserved and the global phase is undefined. Here, we present a unified framework to simulate lasers and BECs states in gate-based quantum computers, by mapping bosonic particles to qubit excitations. Our approach relies on a scalable circuit that measures the total number of particles without destroying long-range coher…
To gain deeper insight into the dynamics of complex quantum systems we need a quantum leap in computer simulations. We can not translate quantum behaviour arising with superposition states or entanglement efficiently into the classical language of conventional computers. The final solution to this problem is a universal quantum computer [1], suggested in 1982 and envisioned to become functional within the next decade(s); a shortcut was proposed via simulating the quantum behaviour of interest in a different quantum system, where all parameters and interactions can be controlled and the outcome…
Simulating physical systems has been an important application of classical and quantum computers. In this article we present an efficient classical algorithm for simulating time-dependent quantum mechanical Hamiltonians over constant periods of time. The algorithm presented here computes the mean value of an observable over the output state of such short-time Hamiltonian evolutions. In proving the performance of this algorithm we use Lieb-Robinson type bounds to limit the evolution of local operators within a lightcone. This allows us to divide the task of simulating a large quantum system int…
We show how phase-space simulations of Gaussian quantum states in a photonic network permit verification of measurable correlations of Gaussian boson sampling (GBS) quantum computers. Our results agree with experiments for up to 100-th order correlations, provided decoherence is included. We extend this to more than 16,000 modes, and describe how to simulate genuine multipartite entanglement.
