High-performance numerical methods are essential not only for advancing quantum many-body physics but also for enabling integration with emerging quantum computing platforms. We present a scalable, general-purpose parallel algorithm for quantum simulations based on -represented quantum algebra (ORQA). This framework applies to arbitrary spin systems and naturally integrates with quantum circuit simulation in the Heisenberg picture, making it particularly relevant to recent large-scale experiments on superconducting qubit processors [Y. Kim ]. As a benchmark, we simulate the kicked Ising model on a 127-qubit heavy-hexagon lattice, tracking the time evolution of local magnetization using up to 1 × 10 12 Pauli strings. Executed on the supercomputer Fugaku, our simulations exhibit strong scaling up to 2 17 parallel processes with near-linear communication overhead. These results establish ORQA as a practical and high-performance tool for quantum many-body dynamics and highlight its potential for integration into hybrid quantum-classical computational frameworks, complementing recent advances in tensor network and surrogate simulation techniques.
High-performance numerical methods are essential not only for advancing quantum many-body physics but also for enabling integration with emerging quantum computing platforms. We present a scalable, general-purpose parallel algorithm for quantum simulations based on -represented quantum algebra (ORQA). This framework applies to arbitrary spin systems and naturally integrates with quantum circuit simulation in the Heisenberg picture, making it particularly relevant to recent large-scale experiments on superconducting qubit processors [Y. Kim ]. As a benchmark, we simulate the kicked Ising model on a 127-qubit heavy-hexagon lattice, tracking the time evolution of local magnetization using up to 1 × 10 12 Pauli strings. Executed on the supercomputer Fugaku, our simulations exhibit strong scaling up to 2 17 parallel processes with near-linear communication overhead. These results establish ORQA as a practical and high-performance tool for quantum many-body dynamics and highlight its potential for integration into hybrid quantum-classical computational frameworks, complementing recent advances in tensor network and surrogate simulation techniques.
Large-scale tensor network simulations are crucial for developing robust complexity-theoretic bounds on classical quantum simulation, enabling circuit cutting approaches, and optimizing circuit compilation, all of which aid efficient quantum computation on limited quantum resources. Modern exascale high-performance computing platforms offer significant potential for advancing tensor network quantum circuit simulation capabilities. We implement TN-Sim, a tensor network simulator backend within the NWQ-Sim software package that utilizes the Tensor Algebra for Many-body Methods (TAMM) framework to support both distributed HPC-scale computations and local simulations with ITensor. To optimize the scale up in computation across multiple nodes we implement a task based parallelization scheme to demonstrate parallelized gate contraction for wide quantum circuits with many gates per layer. Through the integration of the TAMM framework with Matrix Product State (MPS) tensor network approaches, we deliver a simulation environment that can scale from local systems to HPC clusters. We demonstrate an MPS tensor network simulator running on the state-of-the-art Perlmutter (NVIDIA) supercomputer and discuss the potential portability of this software to HPC clusters such as Frontier (AMD) and Aurora (Intel). We also discuss future improvements including support for different tensor network topologies and enhanced computational efficiency.
Efficient manipulation of Pauli-algebraic objects is a key bottleneck in the classical emulation and benchmarking of quantum algorithms for chemistry and many-body physics. This bottleneck appears in Hamiltonian construction, variational ansatz preparation, expectation-value and gradient evaluation, and real-time propagation, all of which require repeated Pauli-algebra operations. Here, we present a high-performance Pauli-algebra framework tailored to quantum many-body and quantum-chemical simulations. The framework combines compact binary symplectic encoding, canonical coefficient reduction, and grouped sparse operator representations that exploit shared bit-flip patterns among Pauli strings. The resulting Julia/C\texttt{++} implementation accelerates Pauli multiplication, Hamiltonian construction, and operator--state multiplication in sparse and symmetry-adapted many-electron spaces. Benchmarks demonstrate efficient Hamiltonian construction, large-active-space VQE and ADAPT-VQE calculations, and real-time variational dynamics on modern multicore CPU and GPU architectures. These results show that structure-aware Pauli-algebra engines provide a scalable classical backend for developing and benchmarking quantum algorithms in quantum chemistry and many-body simulation.
Resolving quantum many-body problems represents one of the greatest challenges in physics and physical chemistry, due to the prohibitively large computational resources that would be required by using classical computers. A solution has been foreseen by directly simulating the time evolution through sequences of quantum gates applied to arrays of qubits, i.e. by implementing a digital quantum simulator. Superconducting circuits and resonators are emerging as an extremely promising platform for quantum computation architectures, but a digital quantum simulator proposal that is straightforwardly scalable, universal, and realizable with state-of-the-art technology is presently lacking. Here we propose a viable scheme to implement a universal quantum simulator with hybrid spin-photon qubits in an array of superconducting resonators, which is intrinsically scalable and allows for local control. As representative examples we consider the transverse-field Ising model, a spin-1 Hamiltonian, and the two-dimensional Hubbard model and we numerically simulate the scheme by including the main sources of decoherence.
Efficient classical simulation has matured to a critical component of the quantum computing stack, driving hardware validation, algorithm design, benchmarking, and the study of structured quantum dynamics. Lie-algebraic simulation (g-sim) offers a compelling approach: it represents Heisenberg-picture dynamics in the adjoint space whose dimension is set by the dynamical Lie algebra (DLA) governing the circuit, enabling efficient simulation of expectation values whenever the DLA grows only polynomially with system size. Despite this promise, existing applications of g-sim have been confined to free-fermionic settings. It has therefore remained unclear if the method can be applied to other structured circuit families, especially when their generators have large Pauli expansions, and hence whether Lie-algebraic simulability presents a genuinely broader paradigm than free fermions. In this work, we resolve this question by identifying additional non-trivial families of polynomial-dimensional DLAs and introducing symmetry-adapted bases that make the required adjoint-space preprocessing tractable. In particular, we develop an explicit Pauli orbit representation for permutation-equivariant dynamics, enabling efficient processing of cubic-dimensional algebras despite exponential Pauli support, and a modified generalized Gell--Mann representation for bounded Hamming-weight (U(1)-equivariant) dynamics, yielding polynomial simulation costs on fixed excitation sectors. Together with streamlined routines for free-fermionic algebras, these constructions significantly broaden the practical scope of g-sim as a unifying simulation tool for structured quantum circuits. Numerical benchmarks confirm favorable preprocessing scaling and validate large-scale proof-of-concept simulations beyond the reach of state-vector simulation.
We report an accurate and efficient classical simulation of a kicked Ising quantum system on the heavy hexagon lattice. A simulation of this system was recently performed on a 127-qubit quantum processor using noise-mitigation techniques to enhance accuracy [Y. Kim ., Nature, 618, 500–5 (2023)]. Here we show that, by adopting a tensor network approach that reflects the geometry of the lattice and is approximately contracted using belief propagation, we can perform a classical simulation that is significantly more accurate and precise than the results obtained from the quantum processor and many other classical methods. We quantify the treelike correlations of the wave function in order to explain the accuracy of our belief propagation-based approach. We also show how our method allows us to perform simulations of the system to long times in the thermodynamic limit, corresponding to a quantum computer with an infinite number of qubits. Our tensor network approach has broader applications for simulating the dynamics of quantum systems with treelike correlations. Published by the American Physical Society 2024
We show how quantum-inspired 2D tensor networks can be used to efficiently and accurately simulate the largest quantum processors from IBM, namely Eagle (127 qubits), Osprey (433 qubits), and Condor (1121 qubits). We simulate the dynamics of a complex quantum many-body system—specifically, the kicked Ising experiment considered recently by IBM in Y. Kim , —using graph-based projected entangled pair states (gPEPS), which was proposed by some of us in . Our results show that simple tensor updates are already sufficient to achieve very large unprecedented accuracy with remarkably low computational resources for this model. Apart from simulating the original experiment for 127 qubits, we also extend our results to 433 and 1121 qubits, and for evolution times around eight times longer, thus setting a benchmark for the newest IBM quantum machines. We also report accurate simulations for infinitely many qubits. Our results show that gPEPS are a natural tool to efficiently simulate quantum computers with an underlying lattice-based qubit connectivity, such as all quantum processors based on superconducting qubits. Published by the American Physical Society 2024