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arXiv:2602.04955

Efficient time-evolution of matrix product states using average Hamiltonians

Belal Abouraya, Jirawat Saiphet, Fedor Jelezko, Ressa S. Said

quant-phSubmitted Feb 4, 2026• Announced Feb 6, 2026• 0 citations
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Abstract

Simulating quantum many-body systems (QMBS) is one of the long-standing, highly non-trivial challenges in condensed matter physics and quantum information due to the exponentially growing size of the system's Hilbert space. To date, tensor networks have been an essential tool for studying such quantum systems, owing to their ability to efficiently capture the entanglement properties of the systems they represent. One of the well-known tensor network architectures, namely matrix product states (MPS), is the standard method for simulating one-dimensional QMBS. Here, we propose a simple, yet efficient, method to augment the already available MPS algorithms to simulate the dynamics of time-dependent Hamiltonians with better accuracy and a faster convergence rate, giving a second-order convergence compared to the first-order convergence of the standard method. We apply our proposed method to simulate the dynamics of a chain of single spins associated with nitrogen-vacancy color centers in diamonds, which has potential applications for practical and scalable quantum technologies, and find that our method improves the average error for a system of few NV centers by a factor of about 1000 for moderate step sizes. Our work paves the way for efficient simulation of QMBS under the influence of time-dependent Hamiltonians.

Comments
5 pages, 3 figures

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Simulating quantum many-body systems (QMBS) is one of the long-standing, highly non-trivial challenges in condensed matter physics and quantum information due to the exponentially growing size of the system's Hilbert space. To date, tensor networks have been an essential tool for studying such quantum systems, owing to their ability to efficiently capture the entanglement properties of the systems they represent. One of the well-known tensor network architectures, namely matrix product states (MPS), is the standard method for simulating one-dimensional QMBS. Here, we propose a simple, yet efficient, method to augment the already available MPS algorithms to simulate the dynamics of time-dependent Hamiltonians with better accuracy and a faster convergence rate, giving a second-order convergence compared to the first-order convergence of the standard method. We apply our proposed method to simulate the dynamics of a chain of single spins associated with nitrogen-vacancy color centers in diamonds, which has potential applications for practical and scalable quantum technologies, and find that our method improves the average error for a system of few NV centers by a factor of about 1000 for moderate step sizes. Our work paves the way for efficient simulation of QMBS under the influence of time-dependent Hamiltonians.
Classical simulation of quantum many-body systems is in general a challenging problem for the simple reason that the dimension of the Hilbert space grows exponentially with the system size. In particular, merely encoding a generic quantum many-body state requires an exponential number of bits. However, condensed matter physicists are mostly interested in local Hamiltonians and especially their ground states, which are highly non-generic. Thus, we might hope that at least some physical systems allow efficient classical simulation.Starting with one-dimensional (1D) quantum systems (i.e., the simplest nontrivial case), the first basic question is: Which classes of states have efficient classical representations? It turns out that this question is quantitatively related to the amount of entanglement in the state, for states with ``little entanglement'' are well approximated by matrix product states (a data structure that can be manipulated efficiently on a classical computer). At a technical level, the mathematical notion for ``little entanglement'' is area law, which has been proved for unique ground states in 1D gapped systems. We establish an area law for constant-fold degenerate ground states in 1D gapped systems and thus explain the effectiveness of matrix-product-state methods in (e.g.) symmetry breaking phases. This result might not be intuitively trivial as degenerate ground states in gapped systems can be long-range correlated.Suppose an efficient classical representation exists. How can one find it efficiently? The density matrix renormalization group is the leading numerical method for computing ground states in 1D quantum systems. However, it is a heuristic algorithm and the possibility that it may fail in some cases cannot be completely ruled out. Recently, a provably efficient variant of the density matrix renormalization group has been developed for frustration-free 1D gapped systems. We generalize this algorithm to all (i.e., possibly frustrated) 1D gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance.It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood.Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods.Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a quantum computer (in experiments).
We present a new method for the efficient imaginary time evolution of quantum many-body wavefunctions represented by matrix product states (MPS). We first show that logarithmic time grids are sufficient to resolve long imaginary time dynamics, yielding an exponential reduction in the number of time steps compared with standard approaches. We then show that A-stable implicit time-stepping methods for ordinary differential equations allow stable propagation for any time step size. The resulting scheme requires only matrix-vector products and linear solves, standard operations in the MPS toolbox. We validate our approach with two examples: a Heisenberg spin chain, which we use to demonstrate a speedup of several orders of magnitude over the standard time-dependent variational principle method with uniform time steps, and a single-site Anderson impurity model with a metallic bath, for which propagation to large imaginary times allows one to observe the exponential dependence of the Kondo temperature on the interaction strength.
Combining the time-dependent variational principle (TDVP) algorithm with the parallelization scheme introduced by Stoudenmire and White for the density matrix renormalization group (DMRG), we present the first parallel matrix product state (MPS) algorithm capable of time evolving one-dimensional (1D) quantum lattice systems with long-range interactions. We benchmark the accuracy and performance of the algorithm by simulating quenches in the long-range Ising and XY models. We show that our code scales well up to 32 processes, with parallel efficiencies as high as 8686%86. Finally, we calculate the dynamical correlation function of a 201-site Heisenberg XXX spin chain with 1/r21/{r}^{2}1/r2 interactions, which is challenging to compute sequentially. These results pave the way for the application of tensor networks to increasingly complex many-body systems.
Out-of-equilibrium dynamics of non-integrable Hamiltonian many-body quantum systems are characterized by highly entangled wave functions. Near-maximal entanglement arises in systems exhibiting thermalization or pre-thermalization, where the system converges to a steady state with a fixed energy density. Classical simulation of the time dependence of such wave functions requires exponential resources. However, typical computations aim to estimate expectation values of local operators and correlation functions to some expected precision. For thermalizing systems at sufficiently high energy densities, such computations can be done without storing the full wave function by instead simulating the evolution of the local operator, which requires significantly fewer resources. Nonetheless, constructing such resource-efficient classical algorithms remains a challenge for intermediate energy densities, where simulating both the wave function and operator evolution is costly. In this paper, we propose a heuristic approach to accelerate the convergence of Matrix Product State (MPS) simulations of expectation values, applicable across a broad range of energy densities. We estimate the desired observables by rescaling the MPS results at low bond dimensions with a factor that depends on the fidelity of the MPS wave function. Using this technique, we simulated the dynamics of the two-dimensional Transverse-Field Ising Model (TFIM) on a 7×87\times87×8 grid with periodic boundary conditions, using a maximum bond dimension of χ=4096χ= 4096χ=4096 on a single A100 GPU, as well as the dynamics of the two-dimensional XY model on grids of size up to 9×99\times99×9. We compare our TFIM results to similar simulations on a digital quantum processor [R. Haghshenas et al., Nature 653, 56 (2026)], demonstrating excellent agreement and confirming the predictive power of our method.
Tensor-network simulations of quantum many-body dynamics are fundamentally limited by entanglement build-up, which leads to exponentially growing computational costs. Furthermore, these classical simulation algorithms are inherently sequential as typically a tensor network representation of the quantum state is updated incrementally at each time step. We build on recently introduced randomized quantum algorithms for time evolution (TE-PAI), and adapt them to the classical simulation context with the purpose of enabling massive parallelisation. Our MPS TE-PAI approach achieves exact time evolution on average (unbiased estimator) and proceeds by representing an ensemble of randomized shallow Trotter-variant circuits as tensor networks. As each circuit instance yields a deterministic quantum state (or observable expecation value), the only source of randomness is the sampling of circuit variants; the absence of shot noise therefore yields a reduced estimator variance relative to quantum hardware implementations of TE-PAI. We simulate representative disordered one-dimensional spin-ring Hamiltonians, and numerically observe reductions in the per-sample gate-count by a factor of up to 10310^3103 relative to Trotterized MPS evolution, yielding orders of magnitude reduction in the time-to-solution under realistic levels of parallelisation. Finally, we numerically observe that MPS TE-PAI is substantially more robust against severe bond-dimension truncation than product formulas, potentially making it useful for the simulation of strongly correlated systems where truncation is necessary in practice. We also demonstrate that the approach can be used naturally in combination with existing time evolution algorithms, effectively extending their time depth via parallelisation.
Classical simulation of quantum circuits is an essential tool in quantum information science, but its applicability is constrained by the exponential growth of the Hilbert space and the entanglement structure of quantum states. In this work, we introduce Matrix Product Evolution (MPE), a tensor-train representation of quantum circuits constructed along the circuit depth rather than along the qubit index. Within this formulation, the simulation of a quantum circuit is modeled as the contraction of multiple MPE tensors. We develop an efficient contraction strategy based on a zip-up procedure to carry out this contraction in practice. We investigate the numerical behavior of this MPE-based contraction framework through simulations of random quantum circuits and the time evolution of a quantum many-body state. Our results characterize the growth of temporal bond dimensions, clarify how post-selection modifies the contraction cost and approximation accuracy, and identify regimes in which depth-oriented tensor-network contractions provide a useful complement to standard MPS-based simulation approaches.