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Bulletin of the American Physical Society

Towards Constant-Depth Circuits for Dynamic Simulations of Materials on Quantum Computers

Lindsay Bassman Oftelie, Roel Van Beeumen, Ethan Smith, Ed Younis, Wibe Albert de Jong, Costin Iancu

Published Mar 16, 2021• 0 citations
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Abstract

Author(s): Bassman, Lindsay; Beeumen, Roel Van; Younis, Ed; Smith, Ethan; Iancu, Costin; Jong, Wibe A de | Abstract: 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 subset of one-dimensional 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. Composed of two-qubit matchgates on nearest-neighbor qubits, these constant-depth circuits are constructed based on a set of multi-matchgate identity relationships. For an $N$-spin system, the constant-depth circuit contains only $\mathcal{O}(N^2)$ CNOT gates. When compared to standard Hamiltonian simulation algorithms, our method generates circuits with order-of-magnitude fewer gates, which allows us to successfully simulate the long-time dynamics of systems with up to 5 spins on available quantum hardware. This paves the way for simulations of long-time dynamics for scientifically and technologically relevant quantum materials, enabling the observation of interesting and important atomic-level physics.

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Abstract 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 $\mathcal {O}(N^{2})$ 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.

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Author(s): Bassman, Lindsay; Beeumen, Roel Van; Younis, Ed; Smith, Ethan; Iancu, Costin; Jong, Wibe A de | Abstract: 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 subset of one-dimensional 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. Composed of two-qubit matchgates on nearest-neighbor qubits, these constant-depth circuits are constructed based on a set of multi-matchgate identity relationships. For an NNN-spin system, the constant-depth circuit contains only O(N2)\mathcal{O}(N^2)O(N2) CNOT gates. When compared to standard Hamiltonian simulation algorithms, our method generates circuits with order-of-magnitude fewer gates, which allows us to successfully simulate the long-time dynamics of systems with up to 5 spins on available quantum hardware. This paves the way for simulations of long-time dynamics for scientifically and technologically relevant quantum materials, enabling the observation of interesting and important atomic-level physics.
Abstract 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 O(N2)\mathcal {O}(N^{2})O(N2) 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.
The quantum circuit model is the de-facto way of designing quantum algorithms. Yet any level of abstraction away from the underlying hardware incurs overhead. In this work, we develop quantum algorithms for Hamiltonian simulation "one level below" the circuit model, exploiting the underlying control over qubit interactions available in most quantum hardware and deriving analytic circuit identities for synthesising multi-qubit evolutions from two-qubit interactions. We then analyse the impact of these techniques under the standard error model where errors occur per gate, and an error model with a constant error rate per unit time. To quantify the benefits of this approach, we apply it to time-dynamics simulation of the 2D spin Fermi-Hubbard model. Combined with new error bounds for Trotter product formulas tailored to the non-asymptotic regime and an analysis of error propagation, we find that e.g. for a 5 × 5 Fermi-Hubbard lattice we reduce the circuit depth from 1, 243, 586 using the best previous fermion encoding and error bounds in the literature, to 3, 209 in the per-gate error model, or the circuit-depth-equivalent to 259 in the per-time error model. This brings Hamiltonian simulation, previously beyond reach of current hardware for non-trivial examples, significantly closer to being feasible in the NISQ era.
Digital quantum simulation of many-body dynamics faces a tension between algorithmic Trotter error and physical noise that accumulates with circuit depth. Typical higher-order product formulas mitigate the algorithmic error at the cost of deeper circuits. Our benchmark shows that, within the limited physical error budget, the feasible advantage is confined to absolute errors well below the 10−210^{-2}10−2 scale, which vanishes under noise levels of current quantum hardware. In sharp contrast to the previous Trotter error mitigation methods, we introduce a constant-depth multi-product formula (cd-MPF) that suppresses the Trotter error by combining multiple circuits at fixed circuit depth. We identify an auxiliary parameter ααα, which reshapes the Trotter error terms while leaving the target evolution invariant. The classical linear combination of the measured expectation values cancels the leading (Δt)2(Δt)^{2}(Δt)2 algorithmic contribution and steepens the Trotter-error scaling with the two-qubit circuit depth ddd from d−2d^{-2}d−2 to d−4d^{-4}d−4. Combined with physical-noise mitigation, our method can serve as a key ingredient for realizing long-time quantum dynamics simulation on near-term hardware.
Abstract Determining the ground and excited state properties of materials is considered one of the most promising applications of quantum computers. On near-term hardware, the limiting constraint on such simulations is the requisite circuit depths and qubit numbers, which currently lie well beyond near-term capabilities. Here we develop a quantum algorithm which reduces the estimated cost of material simulations. For example, we obtain a circuit depth improvement by up to 6 orders of magnitude for a Trotter layer of time-dynamics simulation in the transition-metal oxide SrVO3compared with the best previous quantum algorithms. We achieve this by introducing a collection of connected techniques, including highly localised and physically compact representations of materials Hamiltonians in the Wannier basis, a hybrid fermion-to-qubit mapping, and an efficient circuit compiler. Combined together, these methods leverage locality of materials Hamiltonians and result in a design that generates quantum circuits with depth independent of the system’s size. Although the requisite resources for the quantum simulation of materials are still beyond current hardware, our results show that realistic simulation of specific properties may be feasible without necessarily requiring fully scalable, fault-tolerant quantum computers, providing quantum algorithm design incorporates deeper understanding of the target materials and applications.
Understanding the dynamics of quantum systems is crucial in many areas of physics, but simulating many-body systems presents significant challenges due to the large Hilbert space to navigate and the exponential growth of computational overhead. Quantum computers offer a promising platform to overcome these challenges, particularly for simulating the time evolution with Hamiltonians. Trotterization is a widely used approach among available algorithms in this regard, and well suited for near-term quantum devices. However, it introduces algorithmic Trotter errors due to the non-commutativity of Hamiltonian components. Several techniques such as multi-product formulas have been developed to mitigate Trotter errors, but often require deep quantum circuits, which can introduce additional physical errors. In this work, we propose a resource-efficient scheme to reduce the algorithmic Trotter error with relatively shallow circuit depth. We develop a profiling method by introducing an auxiliary parameter to estimate the error effects in expectation values, enabling significant error suppression with a fixed number of Trotter steps. Our approach offers an efficient way of quantum simulation on near-term quantum processors with shallow circuits.
Understanding the dynamics of interacting quantum systems is a central goal of quantum simulation. For geometrically local Hamiltonians, locality suggests that digital simulation should retain much of the parallelism of the underlying dynamics. For a target accuracy εεε, we construct a nearest-neighbor quantum circuit that simulates the dynamics of an nnn-qubit, time-independent, finite-range Hamiltonian with normalized local interaction strength on a fixed-dimensional lattice for time T≥1T\ge1T≥1, with circuit depth O(Tlog⁡(nT/ε))O(T\log(nT/ε))O(Tlog(nT/ε)) and gate count O(nTlog⁡(nT/ε))O(nT\log(nT/ε))O(nTlog(nT/ε)). This reduces the polylogarithmic overhead of Haah, Hastings, Kothari, and Low to a single logarithm. On logarithmic-scale blocks from the Lieb--Robinson decomposition, a shallow but highly accurate implementation is essential for reducing the circuit depth. Our key observation is that spatial localization also controls the cost of high precision. In each block, the error of a constant-order product formula is compensated for by a correction, yielding exponential accuracy. The correction can be implemented with depth proportional to the block diameter, introducing no additional asymptotic depth scale beyond that required by spatial localization. Furthermore, we prove an unconditional circuit-depth lower bound for uniform XXZ Hamiltonians: at fixed evolution time TTT in the stated regime and sufficiently small fixed error εεε, any nearest-neighbor quantum circuit simulating these dynamics requires depth Ω(log⁡n/log⁡log⁡n)Ω(\log n/\log\log n)Ω(logn/loglogn). This matches our O(log⁡n)O(\log n)O(logn) upper bound up to a doubly logarithmic factor, establishing near-optimal circuit depth for lattice Hamiltonian simulation in this regime. Together, these results clarify the role of locality and precision in determining the circuit complexity of quantum dynamics and suggest broader principles for spatially constrained quantum computation.