Correction: Constant-depth circuits for dynamic simulations of materials on quantum computers

Simulation of the dynamics of quantum materials is emerging as a promising scientific application for noisy intermediate-scale quantum (NISQ) computers. Due to their high gate-error rates and short decoherence times, however, NISQ computers can only produce high-fidelity results for those quantum circuits smaller than some given circuit size. Dynamic simulations, therefore, pose a challenge as current algorithms produce circuits that grow in size with each subsequent time-step of the simulation. This underscores the crucial role of quantum circuit compilers to produce executable quantum circuits of minimal size, thereby maximizing the range of physical phenomena that can be studied within the NISQ fidelity budget. Here, we present two domain-specific (DS) quantum circuit compilers for the Rigetti and IBM quantum computers, specifically designed to compile circuits simulating dynamics under a special class of time-dependent Hamiltonians. The compilers outperform state-of-the-art general-purpose compilers in terms of circuit size reduction by around 25%–30% as well as wall-clock compilation time by around 40% (dependent on system size and simulation time-step). Drawing on heuristic techniques commonly used in artificial intelligence, both compilers scale well with simulation time-step and system size. Code for both compilers is open-source and packaged into a full-stack quantum simulation software with tutorials included for ease of use for future researchers wishing to perform dynamic simulations of quantum materials on quantum computers. As our DS compilers provide significant improvements in both compilation time and simulation fidelity, they provide a building block for accelerating progress toward physical quantum supremacy.

The Jaynes-Cummings model is the canonical model for atom-light interactions, describing ‎a single confined bosonic mode interacting with a two-level system (qubit). This is ‎sufficient to describe a wide range of phenomena in quantum optics and quantum ‎computing. We simulate the dynamics of this model using the hybrid quantum-classical ‎algorithm (HQCA) consisting of quantum and classical computers. The parametric quantum ‎state preparations and quantum measurements are performed on the quantum computer ‎and parameters optimization employ on the classic computer. For implement of hybrid ‎quantum-classical algorithms, the Noisy Intermediate Scale Quantum (NISQ) computer is ‎used. In Noisy Intermediate Scale Quantum computers, we don’t need to error correction. ‎For this purpose, we transform Hamiltonian to qubit form and using an algorithm to obtain ‎the dynamic of the Jaynes-Cummings model. We obtain occupation probability and ‎transition probability in the Jaynes-Cummings model using the hybrid quantum-classical ‎algorithm. The output of the algorithm is compatible with the exact calculation‎‎‎‎.‎

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer. In order to efficiently simulate plasma physics, an optimal control method which synthesizes, directly at the pulse level, any quantum gate on qubit and qutrit systems was developed. Using four superconducting transmon quantum processors at Rigetti and LLNL, it was demonstrated that any arbitrary quantum gate on qubits and qutrits could be implemented with high fidelity, leading to a significantly reduced length of a gate sequence. A problem of interest in FES is the nonlinear optical process of laser pulse compression within a plasma. Since quantum physics is linear, simulating nonlinear operations is not naturally feasible on a quantum computer, however it is possible to simulated a quantized version of the nonlinear process. A quantization approach to convert nonlinear wave-wave interaction problems to Hamiltonian simulation problems was developed and demonstrated using two qubits on a Rigetti device. In this experiment, a number of error suppression and mitigation techniques were investigated to determine how best to utilize the finite quantum resources. This study provides an example of how plasma problems may be solved on near-term, noisy quantum computing platforms and identified a promising set of techniques. Building on the insights of these experiments, the investigation turned to linear electron-plasma wave physics. A connection was identified between a local one-dimensional lattice spin model and linear wave phenomena, allowing a plasma physics problem to be efficiently mapped to the quantum computer. In this framework, reflection and transmission of plasma waves at a sharp boundary was studied, as well as the propagation of waves through an inhomogeneous plasma medium. In addition to the suite of error suppression and mitigation techniques developed, this experiment introduced the use of a digital-analog gate scheme designed to efficiently simulate the plasma Hamiltonian. With hardware available at the conclusion of the project, simulation at the scale of 9 qubits and 15 timesteps (60 entangling layers) was achieved.

In past few years, quantum computation and quantum simulation have been developed rapidly. The research on quantum computation and quantum simulation involving medium scale number of qubits will have a development priority. In this paper, we review recent developments in those directions. The review will include quantum simulation of many-body system, quantum computation, digital quantum simulators and cloud quantum computation platforms, and quantum software. The quantum simulation of many-body system will include the simulation of quantum dynamics, time crystal and many-body localization, quantum statistical physics and quantum chemistry. The review of those results is based on our consideration to the current characteristics of quantum computation and quantum simulation. Specifically, the number of available qubits is on a medium scale from dozens to several hundreds, the fidelity of the quantum logic gate is not high enough for several thousand of operations. In this sense, the present research is at the stage from fundamental explorations to practical applications. With these in mind, we hope that this review can be helpful for the future study in quantum computation and quantum simulation.

A highly anticipated application for quantum computers is as a universal simulator of quantum many-body systems, as was conjectured by Richard Feynman in the 1980s. The last decade has witnessed the growing success of quantum computing for simulating static properties of quantum systems, i.e., the ground-state energy of small molecules. However, it remains a challenge to simulate quantum many-body dynamics on present to near-future noisy intermediate-scale quantum computers. Here, we demonstrate successful simulation of nontrivial quantum dynamics on IBM's Q16 Melbourne quantum processor and Rigetti's Aspen quantum processor; namely, ultrafast control of emergent magnetism by terahertz radiation in an atomically thin two-dimensional material. The full code and step-by-step tutorials for performing such simulations are included to lower the barrier to access for future research on these two quantum computers. As such, this work lays a foundation for the promising study of a wide variety of quantum dynamics on near-future quantum computers, including dynamic localization of Floquet states and topological protection of qubits in noisy environments.

Quantum-empowered electromagnetic transients program (QEMTP) is a promising paradigm for tackling EMTP’s computational burdens. Nevertheless, no existing studies truly achieve a practical and scalable QEMTP operable on today’s noisy-intermediate-scale quantum (NISQ) computers. The strong reliance on noise-free and fault-tolerant quantum devices–which appears to be decades away– hinder practical applications of current QEMTP methods. This paper devises a NISQ-QEMTP methodology which for the first time transitions the QEMTP operations from ideal, noise-free quantum simulators to real, noisy quantum computers. The main contributions lie in: (1) design of shallow-depth QEMTP quantum circuits for mitigating noises on NISQ quantum devices; (2) practical QEMTP linear solvers incorporating executable quantum state preparation and measurements for nodal voltage computations; (3) a noise-resilient QEMTP algorithm leveraging quantum resources logarithmically scaled with power system dimension; (4) a quantum shifted frequency analysis (QSFA) for accelerating QEMTP by exploiting dynamic phasor simulations with larger time steps; (5) a systematical analysis on QEMTP’s performance under various noisy quantum environments. Extensive experiments systematically verify the accuracy, efficacy, universality and noise-resilience of QEMTP on both noise-free simulators and IBM real quantum computers.

Simulating quantum systems is believed to be one of the first applications for which quantum computers may demonstrate a useful advantage. For many problems in physics, we are interested in studying the evolution of the electron-phonon Hamiltonian, for which efficient digital quantum computing schemes exist. Yet to date, no accurate simulation of this system has been produced on real quantum hardware. In this work, we consider the absolute resource cost for gate-based quantum simulation of small electron-phonon systems as dictated by the number of Trotter steps and bosonic energy levels necessary for the convergence of dynamics. We then apply these findings to perform experiments on IBM quantum hardware for both weak and strong electron-phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron-phonon dynamics on current quantum computers comparable to exact diagonalisation. Our results represent a significant step in utilising near term quantum computers for simulation of quantum dynamics and highlight the novelty of approximate circuit recompilation as a tool for reducing noise.

Simulating quantum systems is believed to be one of the first applications for which quantum computers may demonstrate a useful advantage. For many problems in physics, we are interested in studying the evolution of the electron–phonon Hamiltonian, for which efficient digital quantum computing schemes exist. Yet to date, no accurate simulation of this system has been produced on real quantum hardware. In this work, we consider the absolute resource cost for gate-based quantum simulation of small electron–phonon systems as dictated by the number of Trotter steps and bosonic energy levels necessary for the convergence of dynamics. We then apply these findings to perform experiments on IBM quantum hardware for both weak and strong electron–phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron–phonon dynamics on current quantum computers comparable to exact diagonalisation. Our results represent a significant step in utilising near term quantum computers for simulation of quantum dynamics and highlight the novelty of approximate circuit recompilation as a tool for reducing noise.

Dynamic simulation of materials is a promising application for near-term quantum computers. Current algorithms for Hamiltonian simulation, however, produce circuits that grow in depth with increasing simulation time, limiting feasible simulations to short-time dynamics. Here, we present a method for generating circuits that are constant in depth with increasing simulation time for a specific subset of one-dimensional (1D) materials Hamiltonians, thereby enabling simulations out to arbitrarily long times. Furthermore, by removing the effective limit on the number of feasibly simulatable time-steps, the constant-depth circuits enable Trotter error to be made negligibly small by allowing simulations to be broken into arbitrarily many time-steps. For an N-spin system, the constant-depth circuit contains only mathcal {O}(N^{2}) CNOT gates. Such compact circuits enable us to successfully execute long-time dynamic simulation of ubiquitous models, such as the transverse field Ising and XY models, on current quantum hardware for systems of up to 5 qubits without the need for complex error mitigation techniques. Aside from enabling long-time dynamic simulations with minimal Trotter error for a specific subset of 1D Hamiltonians, our constant-depth circuits can advance materials simulations on quantum computers more broadly in a number of indirect ways.

One of the main aims in the field of quantum simulation is to achieve a quantum speedup, often referred to as "quantum computational supremacy", referring to the experimental realization of a quantum device that computationally outperforms classical computers. In this work, we show that one can devise versatile and feasible schemes of two-dimensional dynamical quantum simulators showing such a quantum speedup, building on intermediate problems involving non-adaptive measurement-based quantum computation. In each of the schemes, an initial product state is prepared, potentially involving an element of randomness as in disordered models, followed by a short-time evolution under a basic translationally invariant Hamiltonian with simple nearest-neighbor interactions and a mere sampling measurement in a fixed basis. The correctness of the final state preparation in each scheme is fully efficiently certifiable. We discuss experimental necessities and possible physical architectures, inspired by platforms of cold atoms in optical lattices and a number of others, as well as specific assumptions that enter the complexity-theoretic arguments. This work shows that benchmark settings exhibiting a quantum speedup may require little control in contrast to universal quantum computing. Thus, our proposal puts a convincing experimental demonstration of a quantum speedup within reach in the near term.

Digital quantum simulation goes to two fermions

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer.

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Our algorithm uses the split-operator approach and explicitly simulates all electron-nuclear and interelectronic interactions in quadratic time. Surprisingly, this treatment is not only more accurate than the Born-Oppenheimer approximation but faster and more efficient as well, for all reactions with more than about four atoms. This is the case even though the entire electronic wave function is propagated on a grid with appropriately short time steps. Although the preparation and measurement of arbitrary states on a quantum computer is inefficient, here we demonstrate how to prepare states of chemical interest efficiently. We also show how to efficiently obtain chemically relevant observables, such as state-to-state transition probabilities and thermal reaction rates. Quantum computers using these techniques could outperform current classical computers with 100 qubits.

Candidates for quantum computing which offer only restricted control, e.g. due to lack of access to individual qubits, are not useful for general purpose quantum computing. We present concrete proposals for the use of systems with such limitations as RISQ-reduced instruction set quantum computers and devices-for simulation of quantum dynamics, for multi-particle entanglement and squeezing of collective spin variables. These tasks are useful in their own right, and they also provide experimental probes for the functioning of quantum gates in premature prototypes of quantum computers.

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25-100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, such as multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.