Variational Quantum Chemistry Programs in JaqalPaq

We present example quantum chemistry programs written with JaqalPaq, a python meta-programming language used to code in Jaqal (Just Another Quantum Assembly Language). These JaqalPaq algorithms are intended to be run on the Quantum Scientific Computing Open User Testbed (QSCOUT) platform at Sandia National Laboratories. Our exemplars use the variational quantum eigensolver (VQE) quantum algorithm to compute the ground state energies of the H2, HeH+, and LiH molecules. Since the exemplars focus on how to program in JaqalPaq, the calculations of the second-quantized Hamiltonians are performed with the PySCF python package, and the mappings of the fermions to qubits are obtained from the OpenFermion python package. Using the emulator functionality of JaqalPaq, we emulate how these exemplars would be executed on an error-free QSCOUT platform and compare the emulated computation of the bond-dissociation curves for these molecules with their exact forms within the relevant basis.     

Experimental quantum deletion in an NMR quantum information processor

We report an NMR experimental realization of a rapid quantum deletion algorithm that deletes marked states in an unsorted database.Unlike classical deletion,where search and deletion are equivalent,quantum deletion can be implemented with only a single query,which achieves exponential speed-up compared to the optimal classical analog.In the experimental realization,the GRAPE algorithm was used to obtain an optimized NMR pulse sequence,and the efficient method of maximum-likelihood has been used to reconstruct the experimental output state.     

Variational quantum simulation of thermal statistical states on a superconducting quantum processer

Quantum computers promise to solve finite-temperature properties of quantum many-body systems, which is generally challenging for classical computers due to high computational complexities. Here, we report experimental preparations of Gibbs states and excited states of Heisenberg $XX$ and $XXZ$ models by using a 5-qubit programmable superconducting processor. In the experiments, we apply a hybrid quantum-classical algorithm to generate finite temperature states with classical probability models and variational quantum circuits. We reveal that the Hamiltonians can be fully diagonalized with optimized quantum circuits, which enable us to prepare excited states at arbitrary energy density. We demonstrate that the approach has a self-verifying feature and can estimate fundamental thermal observables with a small statistical error. Based on numerical results, we further show that the time complexity of our approach scales polynomially in the number of qubits, revealing its potential in solving large-scale problems.     

Variational quantum algorithms for trace norms and their applications

The trace norm of matrices plays an important role in quantum information and quantum computing. How to quantify it in today's noisy intermediate scale quantum(NISQ) devices is a crucial task for information processing. In this paper, we present three variational quantum algorithms on NISQ devices to estimate the trace norms corresponding to different situations.Compared with the previous methods, our means greatly reduce the requirement for quantum resources. Numerical experiments are provided to illustrate the effectiveness of our algorithms.     

Variational quantum support vector machine based on Hadamard test

Classical machine learning algorithms seem to be totally incapable of processing tremendous amounts of data, while quantum machine learning algorithms could deal with big data with ease and provide exponential acceleration over classical counterparts. Meanwhile, variational quantum algorithms are widely proposed to solve relevant computational problems on noisy, intermediate-scale quantum devices. In this paper, we apply variational quantum algorithms to quantum support vector machines and demonstrate a proof-of-principle numerical experiment of this algorithm. In addition, in the classification stage, fewer qubits, shorter circuit depth, and simpler measurement requirements show its superiority over the former algorithms.     

清华物理系量子信息研究的新进展

在清华大学物理系成立60周年之际,我们对近年来清华大学物理系量子信息研究的主要进展情况作一介绍,包括量子搜索算法研究,核磁共振量子计算的实验研究,量子通讯的理论与实验研究.在量子搜索算法研究方面,我们提出了量子搜索算法的相位匹配,纠正了当时的一种错误观点,并且提出了一种成功率为100%的量子搜索算法,改进了Grover算法;在核磁共振量子计算实验方面,我们实现了2到7个量子比特的多种量子算法的实验演示;在量子通讯方面,我们提出了分布式传输的量子通讯的思想,应用于量子密钥分配、量子秘密共享、量子直接安全通讯等方面,构造了多个量子通讯的理论方案.在实验室,我们实现了2米距离的空间量子密码通讯的演示实验.     

Experimental implementation of a fixed-point duality quantum search algorithm in the nuclear magnetic resonance quantum system

In this work, we demonstrated a fixed-point quantum search algorithm in the nuclear magnetic resonance (NMR) system. We constructed the pulse sequences for the pivotal operations in the quantum search protocol. The experimental results agree well with the theoretical predictions. The generalization of the scheme to the arbitrary number of qubits has also been given.     

超导量子计算云平台

量子计算云平台将量子计算机以分时服务的形式通过互联网向用户开放,降低了量子计算资源的获取门槛,提高了量子计算资源的利用率,是连接量子计算科研机构和外界用户之间的纽带,对量子计算机的普及以及应用生态的培养起到了重要的推动作用,是未来量子计算机走向应用的一种重要且有效的运行形式。文章从超导量子计算云平台的概念、运行原理、组成部分、发展历史和现状、未来的发展趋势和困难等角度进行简要介绍,便于大家对这一新生事物有更多的了解。     

Cavity-assisted quantum computing in a silicon nanostructure

We present a scheme of quantum computing with charge qubits corresponding to one excess electron shared between dangling-bond pairs of surface silicon atoms that couple to a microwave stripline resonator on a chip. By choosing a certain evolution time, we propose the realization of a set of universal single-and two-qubit logical gates. Due to its intrinsic stability and scalability, the silicon dangling-bond charge qubit can be regarded as one of the most promising candidates for quantum computation. Compared to the previous schemes on quantum computing with silicon bulk systems, our scheme shows such advantages as a long coherent time and direct control and readout.     

Noisy intermediate-scale quantum computers

Quantum computers have made extraordinary progress over the past decade, and significant milestones have been achieved along the path of pursuing universal fault-tolerant quantum computers. Quantum advantage, the tipping point heralding the quantum era, has been accomplished along with several waves of breakthroughs. Quantum hardware has become more integrated and architectural compared to its toddler days. The controlling precision of various physical systems is pushed beyond the fault-tolerant threshold. Meanwhile, quantum computation research has established a new norm by embracing industrialization and commercialization. The joint power of governments, private investors, and tech companies has significantly shaped a new vibrant environment that accelerates the development of this field, now at the beginning of the noisy intermediate-scale quantum era. Here, we first discuss the progress achieved in the field of quantum computation by reviewing the most important algorithms and advances in the most promising technical routes, and then summarizing the next-stage challenges. Furthermore, we illustrate our confidence that solid foundations have been built for the fault-tolerant quantum computer and our optimism that the emergence of quantum killer applications essential for human society shall happen in the future.     

Fast quantum search driven by environmental engineering

Studies have demonstrated that a joined complete graph is a typical mathematical model that can support a fast quantum search. In this paper, we study the implementation of joined complete graphs in atomic systems and realize a quantum search of runtime $O(\sqrt{N})$ based on this implementation with a success probability of 50%. Even though the practical systems inevitably interact with the surrounding environment, we reveal that a successful quantum search can be realized through delicately engineering the environment itself. We consider that our study will bring about a feasible way to realize quantum information processing including quantum algorithms in reality.     

核磁共振量子信息处理研究的新进展

过去的二十年中,量子信息相关研究取得了显著的进展,重要的理论和实验工作不断涌现.与其他量子信息处理系统相比,基于自旋动力学的核磁共振系统,不仅具有丰富而且成熟的控制技术,还拥有相干时间长、脉冲操控精确、保真度高等优点.这也是核磁共振体量子系统能够精确操控多达12比特的量子系统的原因.因此,核磁共振量子处理器在量子信息领域一直扮演着重要角色.本文介绍核磁共振量子计算的基本原理和一些新研究进展.研究的新进展主要包括量子噪声注入技术、量子机器学习在核磁共振平台上的实验演示、高能物理和拓扑序的量子模拟以及核磁共振量子云平台等.最后讨论了液态核磁共振的发展前景和发展瓶颈,并对未来发展方向提出展望.     

Open quantum walks on graphs

Open quantum walks (OQW) are formulated as quantum Markov chains on graphs. It is shown that OQWs are a very useful tool for the formulation of dissipative quantum computing algorithms and for dissipative quantum state preparation. In particular, single qubit gates and the CNOT-gate are implemented as OQWs on fully connected graphs. Also, dissipative quantum state preparation of arbitrary single qubit states and of all two-qubit Bell-states is demonstrated. Finally, the discrete time version of dissipative quantum computing is shown to be more efficient if formulated in the language of OQWs.     

Preparing a Fast Pauli Decomposition for Variational Quantum Solving Linear Equations

Solving linear equations is a basic and significant mathematical task, and it can be executed by variational quantum algorithm (VQA) with quantum advantages by leveraging near-term quantum device and classical optimizer. In the above algorithm, the coefficient matrix should be decomposed first but slowly with the traditional method, for realizing an effective quantum circuit. In this paper, a general framework for preparing a fast Pauli decomposition for solving arbitrary linear equations using VQA is proposed. This method has a simpler form and reduces the complexity of matrix decomposition compared with the traditional one. Moreover, the concrete tables of two and three qubits cases are given for looking up quickly and the instances of Toeplitz matrix, Yule–Walker, and arbitrary equations are demonstrated. Finally, numerical simulations are given to verify this method. This work provides a more convenient and faster preparatory phase for solving linear equations using VQA.     

Toward a superconducting quantum computer: Harnessing macroscopic quantum coherence

Intensive research on the construction of superconducting quantum computers has produced numerous important achievements. The quantum bit (qubit), based on the Josephson junction, is at the heart of this research. This macroscopic system has the ability to control quantum coherence. This article reviews the current state of quantum computing as well as its history, and discusses its future. Although progress has been rapid, the field remains beset with unsolved issues, and there are still many new research opportunities open to physicists and engineers.     

Simulation of electronic structure Hamiltonians using quantum computers

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.     

量子计算算法介绍

量子计算机利用量子力学原理进行计算,具有量子并行计算的优势,能够超越经典计算1990年中期,量子算法取得突破,舒尔(Shor)构造了大数质因子的量子算法,葛洛沃(Grover)构造了无序数据库的量子搜索算法,引起了人们对量子计算的重视,极大地推动了量子计算的研究.文章简单介绍了几个典型的量子算法以及量子算法研究的一些新进展.     

An overview of quantum error mitigation formulas

Minimizing the effect of noise is essential for quantum computers. The conventional method to protect qubits against noise is through quantum error correction. However, for current quantum hardware in the so-called noisy intermediate-scale quantum (NISQ) era, noise presents in these systems and is too high for error correction to be beneficial. Quantum error mitigation is a set of alternative methods for minimizing errors, including error extrapolation, probabilistic error cancellation, measurement error mitigation, subspace expansion, symmetry verification, virtual distillation, etc. The requirement for these methods is usually less demanding than error correction. Quantum error mitigation is a promising way of reducing errors on NISQ quantum computers. This paper gives a comprehensive introduction to quantum error mitigation. The state-of-art error mitigation methods are covered and formulated in a general form, which provides a basis for comparing, combining and optimizing different methods in future work.     

Variational model for one-dimensional quantum magnets

A new variational technique for investigation of the ground state and correlation functions in 1D quantum magnets is proposed. A spin Hamiltonian is reduced to a fermionic representation by the Jordan–Wigner transformation. The ground state is described by a new non-local trial wave function, and the total energy is calculated in an analytic form as a function of two variational parameters. This approach is demonstrated with an example of the XXZ-chain of spin-1/2 under a staggered magnetic field. Generalizations and applications of the variational technique for low-dimensional magnetic systems are discussed.