Quantifying fault tolerant simulation of strongly correlated systems using the Fermi-Hubbard model
Anjali A. Agrawal, Job, Joshua, Tyler L Wilson, S. N. Saadatmand, Mark J. Hodson, J. Mutus, Athena Caesura, Peter D. Johnson, Elenewski, Justin E., Morrell, Kaitlyn J., Alexander F. Kemper
Understanding the physics of strongly correlated materials is one of the grand challenge problems for physics today. A large class of scientifically interesting materials, from high-$T_c$ superconductors to spin liquids, involve medium to strong correlations, and building a holistic understanding of these materials is critical. Doing so is hindered by the competition between the kinetic energy and Coulomb repulsion, which renders both analytic and numerical methods unsatisfactory for describing interacting materials. Fault-tolerant quantum computers have been proposed as a path forward to overcome these difficulties, but this potential capability has not yet been fully assessed. Here, using the multi-orbital Fermi-Hubbard model as a representative model and a source of scalable problem specifications, we estimate the resource costs needed to use fault-tolerant quantum computers for obtaining experimentally relevant quantities such as correlation function estimation. We find that advances in quantum algorithms and hardware will be needed in order to reduce quantum resources and feasibly address utility-scale problem instances.
Understanding the physics of strongly correlated materials is one of the grand challenge problems for physics today. A large class of scientifically interesting materials, from high-Tc superconductors to spin liquids, involve medium to strong correlations, and building a holistic understanding of these materials is critical. Doing so is hindered by the competition between the kinetic energy and Coulomb repulsion, which renders both analytic and numerical methods unsatisfactory for describing interacting materials. Fault-tolerant quantum computers have been proposed as a path forward to overcome these difficulties, but this potential capability has not yet been fully assessed. Here, using the multi-orbital Fermi-Hubbard model as a representative model and a source of scalable problem specifications, we estimate the resource costs needed to use fault-tolerant quantum computers for obtaining experimentally relevant quantities such as correlation function estimation. We find that advances in quantum algorithms and hardware will be needed in order to reduce quantum resources and feasibly address utility-scale problem instances.
Abstract Exploring low-cost applications is paramount to creating value in early fault-tolerant quantum computers. Here, we optimize both gate and qubit counts of recent algorithms for simulating the Fermi-Hubbard model. We further devise and compile algorithms to simulate established models of cuprate and pnictide high-temperature superconductors, which include beyond-nearest-neighbor hopping terms and multi-orbital interactions that are absent in the Fermi-Hubbard model. We show that simulations of these more realistic models of high-temperature superconductors require only an order of magnitude or so more Toffoli gates than a simulation of the Fermi-Hubbard model. Furthermore, we find plenty classically difficult instances with Toffoli and qubit counts that are far lower than commonly considered quantum phase estimation circuits for electronic structure problems in quantum chemistry. We believe our results pave the way towards studying high-temperature superconductors on early fault-tolerant quantum computers.
The study of strongly correlated quantum many-body systems is an outstanding challenge. Highly accurate results are needed for the understanding of practical and fundamental problems in condensed-matter physics, high energy physics, material science, quantum chemistry and so on. Our familiar mean-field or perturbative methods tend to be ineffective. Numerical simulations provide a promising approach for studying such systems. The fundamental difficulty of numerical simulation is that the dimension of the Hilbert space needed to describe interacting systems increases exponentially with the system size. Quantum Monte Carlo (QMC) methods are one of the best approaches to tackle the problem of enormous Hilbert space. They have been highly successful for boson systems and unfrustrated spin models. For systems with fermions, the exchange symmetry in general causes the infamous sign problem, making the statistical noise in the computed results grow exponentially with the system size. This hinders our understanding of interesting physics such as high-temperature superconductivity, metal-insulator phase transition. In this thesis, we present a variety of new developments in the auxiliary-field quantum Monte Carlo (AFQMC) methods, including the incorporation of symmetry in both the trial wave function and the projector, developing the constraint release method, using the force-bias to drastically improve the efficiency in Metropolis framework, identifying and solving the infinite variance problem, and sampling Hartree-Fock-Bogoliubov wave function. With these developments, some of the most challenging many-electron problems are now under control. We obtain an exact numerical solution of two-dimensional strongly interacting Fermi atomic gas, determine the ground state properties of the 2D Fermi gas with Rashba spin-orbit coupling, provide benchmark results for the ground state of the two-dimensional Hubbard model, and establish that the Hubbard model has a stripe order in the underdoped region.
The development of fault-tolerant quantum computers (FTQCs) is receiving increasing attention within the quantum computing community. Like conventional digital computers, FTQCs, which utilize error correction and millions of physical qubits, have the potential to address some of humanity’s grand challenges. However, accurate estimates of the tangible scale of future FTQCs, based on transparent assumptions, are uncommon. How many physical qubits are necessary to solve a practical problem intractable for classical hardware? What costs arise from distributing quantum computation across multiple machines? This paper presents an architectural model of a potential FTQC based on superconducting qubits, divided into discrete modules and interconnected via coherent links. We employ a resource-estimation framework and software tool to assess the physical resources required to execute specific quantum algorithms compiled into their graph-state form and arranged onto a modular superconducting hardware architecture. Our tool can predict the size, power consumption, and execution time of these algorithms based on explicit assumptions about the physical layout, thermal load, and modular connectivity of the system. We assess the resources needed for quantum computation examples that serve as building blocks of proposed applications, quantifying the architectural bottlenecks and trade-offs that remain to be addressed to deliver utility.
The study of strongly correlated materials remains one of the most challenging and active frontiers in condensed matter physics. In these systems, the intricate interplay between electrons' kinetic energy and their mutual Coulomb repulsion gives rise to a plethora of exotic phenomena, from high-temperature superconductivity to giant magnetoresistance, which cannot be explained by conventional one-electron theories. This necessitates the development and application of advanced theoretical and computational methods capable of capturing the essential physics of strong electronic correlations. A diverse array of numerical and analytical techniques has been developed to tackle the many-body problem. However, no single method serves as a panacea; each comes with its own set of strengths and weaknesses, and their domains of applicability vary significantly. The choice of an appropriate approximation is therefore highly dependent on the specific physical system and the scientific question at hand. Different problems may benefit from different, and sometimes complementary, methodological perspectives. This thesis focuses primarily on the application and development of local or quasi-local approaches. The rationale for this focus is rooted in the physical reality of many key correlated materials, such as transition metal oxides, heavy-fermion systems or molecular solids like alkali-doped fullerenes, where the local on-site electronic interaction is the dominant energy scale. By prioritizing the accurate treatment of local physics, these methods provide a robust and computationally efficient approximation for understanding a wide range of material properties. Recent experimental and theoretical advancements—spanning the rich physics of multiorbital compounds, the precise control over interactions in ultracold atomic gases, and the complex interplay in electron-phonon coupled systems—have created an urgent need for theoretical frameworks that can deliver reliable and rapid insights. The methods explored in this work are meant to address these challenges, offering a balance between accuracy and computational feasibility. Given the variety of topics addressed, from methodological developments to their application in diverse physical contexts, this thesis will try to be as detailed and self-contained as necessary, providing a clear exposition of the underlying concepts and technical aspects.
This thesis deals with the problematics of the scalability of fault-tolerant quantum computing. This question is studied under the angle of estimating the resources needed to set up such computers. What we call a resource is, in principle, very general; it could be the power, the energy, the total bandwidth allocated to the different qubits... However, we mainly focus on the energetic cost of quantum computing. In particular, we develop an inter-disciplinary approach that allows to minimize the resources required to implement algorithms on quantum computers. By asking to find the minimum amount of resources required to perform a computation under the constraint that the algorithm provides a correct answer with a targeted accuracy, it is possible to optimize the whole computer in order to minimize the resources spent, while being sure to have a correct answer with a high probability. We apply this approach to a complete model fault-tolerant quantum computer based on superconducting qubits. Our results indicate that for algorithms implemented on thousands of logical qubits, our method makes it possible to reduce the energetic cost by orders of magnitudes in regimes where, without optimizing, the power consumption could be close to the gigawatt. This work illustrates that the energetic cost of quantum computing should be a criterion in itself, allowing to evaluate the scaling potential of a given quantum computer technology. It also illustrates that optimizing the architecture of a quantum computer, via inter-disciplinary methods, including algorithms, error correction, qubit physics, engineering aspects, such as the ones that we propose, can prove to be a powerful tool, clearly improving the scaling potential of quantum computers. Finally, we provide general hints about how to make fault-tolerant quantum computers energy efficient.
As the advances in quantum hardware bring us into the noisy intermediate-scale quantum (NISQ) era, one possible task we can perform without quantum error correction using NISQ machines is the variational quantum eigensolver (VQE) due to its shallow depth. A specific problem that we can tackle is the strongly interacting Fermi-Hubbard model, which is classically intractable and has practical implications in areas like superconductivity. In this paper, we outline the details about the gate sequence, the measurement scheme, and the relevant error-mitigation techniques for the implementation of the Hubbard VQE on a NISQ platform. We perform resource estimation for both silicon spin qubits and superconducting qubits for a 50-qubit simulation, which cannot be solved exactly via classical means, and find similar results. The number of two-qubit gates required is on the order of 20 000. Hence, to suppress the mean circuit-error count to a level such that we can obtain meaningful results with the aid of error mitigation, we need to achieve a two-qubit gate error rate of approximately ${10}^{\ensuremath{-}4}$. When searching for the ground state, we need a few days for one gradient-descent iteration, which is impractical. This can be reduced to around 10 min if we distribute our task among hundreds of quantum-processing units. Hence, implementing a 50-qubit Hubbard model VQE on a NISQ machine can be on the brink of being feasible in near term, but further optimization of our simulation scheme, improvements in the gate fidelity, improvements in the optimization scheme and advances in the error-mitigation techniques are needed to overcome the remaining obstacles. The scalability of the hardware platform is also essential to overcome the runtime issue via parallelization, which can be done on one single silicon multicore processor or across multiple superconducting processors.