Quantum error mitigation (QEM) is vital for noisy intermediate-scale quantum (NISQ) devices. While most conventional QEM schemes assume discrete gate-based circuits with noise appearing either before or after each gate, the assumptions are inappropriate for describing realistic noise that may have strong gate dependence and complicated nonlocal effects, and general computing models such as analog quantum simulators. To address these challenges, we first extend the scenario, where each computation process, being either digital or analog, is described by a continuous time evolution. For noise from imperfections of the engineered Hamiltonian or additional noise operators, we show it can be effectively suppressed by a stochastic QEM method. Since our method assumes only accurate single qubit controls, it is applicable to all digital quantum computers and various analog simulators. Meanwhile, errors in the mitigation procedure can be suppressed by leveraging the Richardson extrapolation method. As we numerically test our method with various Hamiltonians under energy relaxation and dephasing noise and digital quantum circuits with additional two-qubit crosstalk, we show an improvement of simulation accuracy by 2 orders. We assess the resource cost of our scheme and conclude the feasibility of accurate quantum computing with NISQ devices.

Tensor network theory and quantum simulation are, respectively, the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks consisting of measurable quantum states and classically contractable tensors, inheriting both their distinct features in efficient representation of many-body wave functions. With the example of hybrid tree tensor networks, we demonstrate efficient quantum simulation using a quantum computer whose size is significantly smaller than the one of the target system. We numerically benchmark our method for finding the ground state of 1D and 2D spin systems of up to $8\times 8$ and $9\times 8$ qubits with operations only acting on $8+1$ and $9+1$ qubits, respectively. Our approach sheds light on simulation of large practical problems with intermediate-scale quantum computers, with potential applications in chemistry, quantum many-body physics, quantum field theory, and quantum gravity thought experiments.

A crucial subroutine for various quantum computing and communication algorithms is to efficiently extract different classical properties of quantum states. In a notable recent theoretical work by Huang, Kueng, and Preskill [ Nat. Phys. 16, 1050 (2020)], a thrifty scheme showed how to project the quantum state into classical shadows and simultaneously predict $M$ different functions of a state with only $\mathcal{O}({\log }_{2}M)$ measurements, independent of the system size and saturating the information-theoretical limit. Here, we experimentally explore the feasibility of the scheme in the realistic scenario with a finite number of measurements and noisy operations. We prepare a four-qubit GHZ state and show how to estimate expectation values of multiple observables and Hamiltonians. We compare the measurement strategies with uniform, biased, and derandomized classical shadows to conventional ones that sequentially measure each state function exploiting either importance sampling or observable grouping. We next demonstrate the estimation of nonlinear functions using classical shadows and analyze the entanglement of the prepared quantum state. Our experiment verifies the efficacy of exploiting (derandomized) classical shadows and sheds light on efficient quantum computing with noisy intermediate-scale quantum hardware.

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in the quantum simulation of simple molecules, ab initio simulation of solid-state materials on quantum computers is still in its early stage, mostly owing to the fact that the system size quickly becomes prohibitively large when approaching the thermodynamic limit. In this work, we introduce an orbital-based multifragment approach on top of the periodic density matrix embedding theory, resulting in a significantly smaller problem size for the current near-term quantum computer. We demonstrate the accuracy and efficiency of our method compared with the conventional methodologies and experiments on solid-state systems with complex electronic structures. These include spin-polarized states of a hydrogen chain (1D-H), the equation of state of a boron nitride layer (h-BN) as well as the magnetic ordering in nickel oxide (NiO), a prototypical strongly correlated solid. Our results suggest that quantum embedding combined with a chemically intuitive fragmentation can greatly advance quantum simulation of realistic materials, thereby paving the way for solving important yet classically hard industrial problems on near-term quantum devices.

In the effort to develop useful quantum computers, simulating quantum machines with conventional classical computing resources is a key capability. Such simulations will always face limits, preventing the emulation of quantum computers at substantial scale; however, by pushing the envelope through optimal choices of algorithms and hardware, the value of simulator tools can be maximized. This work reviews state-of-the-art numerical simulation methods, i.e., classical algorithms that emulate quantum computer evolution under specific operations. We focus on the mainstream state-vector and tensor-network paradigms, while briefly mentioning alternative methods. Moreover, we review the diverse applications of simulation across different facets of quantum computer development, including understanding the fundamental differences between quantum and classical computations, exploring algorithmic design for quantum advantage, predicting quantum processor performance at the design stage, and efficiently characterizing fabricated devices for rapid iterations. This review complements recent surveys of current tools and implementations; here, we aim to provide readers with an essential understanding of the theoretical basis of classical simulation methods, a detailed discussion of their advantages and limitations, and an overview of the demands and challenges arising from practical use cases.