Efficient Quantum Imaginary Time Evolution by Drifting Real-Time Evolution: An Approach with Low Gate and Measurement Complexity.

Quantum imaginary time evolution (QITE) is one of the promising candidates for finding the eigenvalues and eigenstates of a Hamiltonian on a quantum computer. However, the original proposal suffers from large circuit depth and measurements due to the size of the Pauli operator pool and Trotterization. To alleviate the requirement for deep circuits, we propose a time-dependent drifting scheme inspired by the qDRIFT algorithm [Campbell, E. Phys. Rev. Lett. 2019, 123, 070503]. We show that this drifting scheme removes the depth dependency on the size of the operator pool and converges inversely with respect to the number of steps. We further propose a deterministic algorithm that selects the dominant Pauli term to reduce the fluctuation for the ground state preparation. We also introduce an efficient measurement reduction scheme across Trotter steps that removes its cost dependence on the number of iterations. We analyze the main source of error for our scheme both theoretically and numerically. We numerically test the validity of depth reduction, convergence performance of our algorithms, and the faithfulness of the approximation for our measurement reduction scheme on several benchmark molecules. In particular, the results on the LiH molecule give circuit depths comparable to that of the advanced adaptive variational quantum eigensolver (VQE) methods while requiring much fewer measurements.

Low-Depth Hamiltonian Simulation by an Adaptive Product Formula.

Various Hamiltonian simulation algorithms have been proposed to efficiently study the dynamics of quantum systems on a quantum computer. The existing algorithms generally approximate the time evolution operators, which may need a deep quantum circuit that is beyond the capability of near-term noisy quantum devices. Here, focusing on the time evolution of a fixed input quantum state, we propose an adaptive approach to construct a low-depth time evolution circuit. By introducing a measurable quantifier that characterizes the simulation error, we use an adaptive strategy to learn the shallow quantum circuit that minimizes that error. We numerically test the adaptive method with electronic Hamiltonians of the H_{2}O and H_{4} molecules, and the transverse field Ising model with random coefficients. Compared to the first-order Suzuki-Trotter product formula, our method can significantly reduce the circuit depth (specifically the number of two-qubit gates) by around two orders while maintaining the simulation accuracy. We show applications of the method in simulating many-body dynamics and solving energy spectra with the quantum Krylov algorithm. Our work sheds light on practical Hamiltonian simulation with noisy-intermediate-scale-quantum devices.

Perturbative Quantum Simulation.

Approximation based on perturbation theory is the foundation for most of the quantitative predictions of quantum mechanics, whether in quantum many-body physics, chemistry, quantum field theory, or other domains. Quantum computing provides an alternative to the perturbation paradigm, yet state-of-the-art quantum processors with tens of noisy qubits are of limited practical utility. Here, we introduce perturbative quantum simulation, which combines the complementary strengths of the two approaches, enabling the solution of large practical quantum problems using limited noisy intermediate-scale quantum hardware. The use of a quantum processor eliminates the need to identify a solvable unperturbed Hamiltonian, while the introduction of perturbative coupling permits the quantum processor to simulate systems larger than the available number of physical qubits. We present an explicit perturbative expansion that mimics the Dyson series expansion and involves only local unitary operations, and show its optimality over other expansions under certain conditions. We numerically benchmark the method for interacting bosons, fermions, and quantum spins in different topologies, and study different physical phenomena, such as information propagation, charge-spin separation, and magnetism, on systems of up to 48 qubits only using an 8+1 qubit quantum hardware. We demonstrate our scheme on the IBM quantum cloud, verifying its noise robustness and illustrating its potential for benchmarking large quantum processors with smaller ones.

Toward practical quantum embedding simulation of realistic chemical systems on near-term quantum computers.

Quantum computing has recently exhibited great potential in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such as LiH and hydrogen chains of up to 12 qubits, by using quantum algorithms such as variational quantum eigensolver (VQE). Yet, originating from the limitations of the size and the fidelity of near-term quantum hardware, the accurate simulation of large realistic molecules remains a challenge. Here, integrating an adaptive energy sorting strategy and a classical computational method-the density matrix embedding theory, which respectively reduces the circuit depth and the problem size, we present a means to circumvent the limitations and demonstrate the potential of near-term quantum computers toward solving real chemical problems. We numerically test the method for the hydrogenation reaction of C6H8 and the equilibrium geometry of the C18 molecule, using basis sets up to cc-pVDZ (at most 144 qubits). The simulation results show accuracies comparable to those of advanced quantum chemistry methods such as coupled-cluster or even full configuration interaction, while the number of qubits required is reduced by an order of magnitude (from 144 qubits to 16 qubits for the C18 molecule) compared to conventional VQE. Our work implies the possibility of solving industrial chemical problems on near-term quantum devices.

Experimental Quantum State Measurement with Classical Shadows.

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)NPAHAX1745-247310.1038/s41567-020-0932-7], a thrifty scheme showed how to project the quantum state into classical shadows and simultaneously predict M different functions of a state with only 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 Simulation with Hybrid Tensor Networks.

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 8×8 and 9×8 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.

Variational algorithms for linear algebra.

Quantum algorithms have been developed for efficiently solving linear algebra tasks. However, they generally require deep circuits and hence universal fault-tolerant quantum computers. In this work, we propose variational algorithms for linear algebra tasks that are compatible with noisy intermediate-scale quantum devices. We show that the solutions of linear systems of equations and matrix-vector multiplications can be translated as the ground states of the constructed Hamiltonians. Based on the variational quantum algorithms, we introduce Hamiltonian morphing together with an adaptive ansätz for efficiently finding the ground state, and show the solution verification. Our algorithms are especially suitable for linear algebra problems with sparse matrices, and have wide applications in machine learning and optimisation problems. The algorithm for matrix multiplications can be also used for Hamiltonian simulation and open system simulation. We evaluate the cost and effectiveness of our algorithm through numerical simulations for solving linear systems of equations. We implement the algorithm on the IBM quantum cloud device with a high solution fidelity of 99.95%.

Variational Quantum Simulation of General Processes.

Variational quantum algorithms have been proposed to solve static and dynamic problems of closed many-body quantum systems. Here we investigate variational quantum simulation of three general types of tasks-generalized time evolution with a non-Hermitian Hamiltonian, linear algebra problems, and open quantum system dynamics. The algorithm for generalized time evolution provides a unified framework for variational quantum simulation. In particular, we show its application in solving linear systems of equations and matrix-vector multiplications by converting these algebraic problems into generalized time evolution. Meanwhile, assuming a tensor product structure of the matrices, we also propose another variational approach for these two tasks by combining variational real and imaginary time evolution. Finally, we introduce variational quantum simulation for open system dynamics. We variationally implement the stochastic Schrödinger equation, which consists of dissipative evolution and stochastic jump processes. We numerically test the algorithm with a 6-qubit 2D transverse field Ising model under dissipation.

Protonation induced high-Tc phases in iron-based superconductors evidenced by NMR and magnetization measurements.

Chemical substitution during growth is a well-established method to manipulate electronic states of quantum materials, and leads to rich spectra of phase diagrams in cuprate and iron-based superconductors. Here we report a novel and generic strategy to achieve nonvolatile electron doping in series of (i.e. 11 and 122 structures) Fe-based superconductors by ionic liquid gating induced protonation at room temperature. Accumulation of protons in bulk compounds induces superconductivity in the parent compounds, and enhances the Tc largely in some superconducting ones. Furthermore, the existence of proton in the lattice enables the first proton nuclear magnetic resonance (NMR) study to probe directly superconductivity. Using FeS as a model system, our NMR study reveals an emergent high-Tc phase with no coherence peak which is hard to measure by NMR with other isotopes. This novel electric-field-induced proton evolution opens up an avenue for manipulation of competing electronic states (e.g. Mott insulators), and may provide an innovative way for a broad perspective of NMR measurements with greatly enhanced detecting resolution.

Antibiotic Resistance Genes and Associated Microbial Community Conditions in Aging Landfill Systems.

Landfills receive about 350 million tons of municipal solid wastes (MSWs) per year globally, including antibiotics and other coselecting agents that impact antimicrobial resistance (AMR). However, little is known about AMR in landfills, especially as a function of landfill ages. Here we quantified antibiotics, heavy metals, and AMR genes (ARGs) in refuse and leachates from landfills of different age (<3, 10, and >20 years). Antibiotics levels were consistently lower in refuse and leachates from older landfills, whereas ARG levels in leachates significantly increased with landfill age (One-way ANOVA, F = 10.8, P < 0.01). Heavy metals whose contents increased as landfills age (one-way ANOVA, F = 12.3, P < 0.01) were significantly correlated with elevated levels of ARGs (Mantel test, R = 0.66, P < 0.01) in leachates, which implies greater AMR exposure risks around older landfills. To further explain ARGs distributional mechanisms with age, microbial communities, mobile genetic elements (MGEs) and environmental factors were contrasted between refuse and leachate samples. Microbial communities in the refuse were closely correlated with ARG contents (Procrustes test; M2 = 0.37, R = 0.86, P < 0.001), whereas ARG in leachates were more associated with MGEs.