We present the Julia package PauliStrings.jl for quantum many-body simulations, which performs fast operations on the Pauli group by encoding Pauli strings in binary. All of the Pauli string algebra is encoded into low-level logic operations on integers, and is made efficient by various truncation methods which allow for systematic extrapolation of the results. We illustrate the effectiveness of our package by (i) performing Heisenberg time evolution through direct numerical integration and (ii) by constructing a Liouvillian Krylov space. We benchmark the results against tensor network methods, and we find our package performs favorably. In addition, we show that this representation allows for easy encoding of any geometry. We present results for chaotic and integrable spin systems in 1D as well as some examples in 2D. Currently, the main limitations are the inefficiency of representing non-trivial pure states (or other low-rank operators), as well as the need to introduce dissipation to probe long-time dynamics.We present the Julia package PauliStrings.jl for quantum many-body simulations, which performs fast operations on the Pauli group by encoding Pauli strings in binary. All of the Pauli string algebra is encoded into low-level logic operations on integers, and is made efficient by various truncation methods which allow for systematic extrapolation of the results. We illustrate the effectiveness of our package by (i) performing Heisenberg time evolution through direct numerical integration and (ii) by constructing a Liouvillian Krylov space. We benchmark the results against tensor network methods, and we find our package performs favorably. In addition, we show that this representation allows for easy encoding of any geometry. We present results for chaotic and integrable spin systems in 1D as well as some examples in 2D. Currently, the main limitations are the inefficiency of representing non-trivial pure states (or other low-rank operators), as well as the need to introduce dissipation to probe long-time dynamics.

arXiv:2410.09654SciPost Physics CodebasesMar 24, 202512 citations

A High-Performance Pauli-Algebra Framework for Large-Scale Quantum Simulations

Xiaopeng Li, Zhijie Sun, Yi Fan +3 more

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.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.

quant-pharXiv:2606.28952Jun 30, 20260 citations

PEPSKit.jl: A Julia package for projected entangled-pair state simulations

Paul Brehmer, Lander Burgelman, Zheng-Yuan Yue +3 more

We present PEPSKit $.$ jl, a Julia package for simulating two-dimensional quantum many-body systems with infinite projected entangled-pair states (iPEPS). PEPSKit $.$ jl builds on the TensorKit $.$ jl package for tensor computations and provides high-level algorithms for iPEPS simulations that support both Abelian and non-Abelian symmetries, as well as fermionic systems. This work gives an overview of the main package features, which include support for ground-state, time-evolution, and finite-temperature simulations in systems with different physical symmetries and lattice geometries. These capabilities are illustrated through various examples and technical benchmarks.We present PEPSKit$.$jl, a Julia package for simulating two-dimensional quantum many-body systems with infinite projected entangled-pair states (iPEPS). PEPSKit$.$jl builds on the TensorKit$.$jl package for tensor computations and provides high-level algorithms for iPEPS simulations that support both Abelian and non-Abelian symmetries, as well as fermionic systems. This work gives an overview of the main package features, which include support for ground-state, time-evolution, and finite-temperature simulations in systems with different physical symmetries and lattice geometries. These capabilities are illustrated through various examples and technical benchmarks.

cond-mat.str-elCross-listedarXiv:2605.19960May 20, 20260 citations

Codebase release 0.24 for ITransverse.jl

Stefano Carignano

Transverse contraction methods are extremely promising tools for the efficient contraction of tensor networks associated with the time evolution of quantum many-body systems, allowing in some cases to circumvent the entanglement barrier that would normally prevent the study of quantum dynamics with classical resources. We present here the ITransverse.jl package, written in Julia and based on ITensors.jl, containing several of these high-level algorithms, including novel prescriptions for efficient truncations of temporal matrix product states.Transverse contraction methods are extremely promising tools for the efficient contraction of tensor networks associated with the time evolution of quantum many-body systems, allowing in some cases to circumvent the entanglement barrier that would normally prevent the study of quantum dynamics with classical resources. We present here the ITransverse.jl package, written in Julia and based on ITensors.jl, containing several of these high-level algorithms, including novel prescriptions for efficient truncations of temporal matrix product states.

SciPost Physics CodebasesJan 9, 20261 citation

State-adapted generalized mean-field projections for Pauli propagation of Heisenberg dynamics

Federico Tomás B. Pérez, Gabriela Wójtowicz, Martin B. Plenio

The Heisenberg picture can make quantum many-body simulation efficient when evolved observables admit compact operator representation within low-dimensional structures. Conventional Pauli-string propagation and truncation techniques exploit this structure, but in coherent Hamiltonian dynamics their error control is often heuristic and their stability can be poor. We introduce a state-adapted Krylov framework based on geometric generalized mean-field projections of many-body observables onto low-body operator subspaces. The resulting dynamics approximate expectation values, do not extend spatial support beyond that prescribed by Lieb-Robinson bounds, and compress high-body correlations onto their state-relevant low-body representatives rather than simply discarding them. We derive necessary operator-entanglement obstructions to low-body representation and conditional sufficient bounds on representation and dynamical errors involving nonstabilizerness and controlled high-body tails. Numerical benchmarks show improved, stable finite- $m$ hierarchies and simulations on large three-dimensional lattices, establishing a scalable state-adapted alternative to conventional Heisenberg-picture weight-truncation of Pauli strings.The Heisenberg picture can make quantum many-body simulation efficient when evolved observables admit compact operator representation within low-dimensional structures. Conventional Pauli-string propagation and truncation techniques exploit this structure, but in coherent Hamiltonian dynamics their error control is often heuristic and their stability can be poor. We introduce a state-adapted Krylov framework based on geometric generalized mean-field projections of many-body observables onto low-body operator subspaces. The resulting dynamics approximate expectation values, do not extend spatial support beyond that prescribed by Lieb-Robinson bounds, and compress high-body correlations onto their state-relevant low-body representatives rather than simply discarding them. We derive necessary operator-entanglement obstructions to low-body representation and conditional sufficient bounds on representation and dynamical errors involving nonstabilizerness and controlled high-body tails. Numerical benchmarks show improved, stable finite-$m$ hierarchies and simulations on large three-dimensional lattices, establishing a scalable state-adapted alternative to conventional Heisenberg-picture weight-truncation of Pauli strings.

quant-pharXiv:2609.12840Sep 14, 20260 citations

Codebase release 0.5 for FewBodyToolkit.jl

Lucas Happ

Few-body physics explores quantum systems of a small number of particles, bridging the gap between single-particle and many-body regimes. To provide an accessible tool for such studies, we present FewBodyToolkit.jl, a Julia package for quantum few-body simulations. The package supports general two- and three-body systems in various spatial dimensions with arbitrary pair-interactions, and allows to calculate bound and resonant states. The implementation is based on the well-established Gaussian expansion method and we illustrate the package’s capabilities through benchmarks and research examples. The package comes with documentation and examples, making it useful for research, teaching, benchmarking, and method development.Few-body physics explores quantum systems of a small number of particles, bridging the gap between single-particle and many-body regimes. To provide an accessible tool for such studies, we present FewBodyToolkit.jl, a Julia package for quantum few-body simulations. The package supports general two- and three-body systems in various spatial dimensions with arbitrary pair-interactions, and allows to calculate bound and resonant states. The implementation is based on the well-established Gaussian expansion method and we illustrate the package’s capabilities through benchmarks and research examples. The package comes with documentation and examples, making it useful for research, teaching, benchmarking, and method development.

SciPost Physics CodebasesSep 7, 20260 citations

We present PEPSKit

.

jl, a Julia package for simulating two-dimensional quantum many-body systems with infinite projected entangled-pair states (iPEPS). PEPSKit

.

jl builds on the TensorKit

.

jl package for tensor computations and provides high-level algorithms for iPEPS simulations that support both Abelian and non-Abelian symmetries, as well as fermionic systems. This work gives an overview of the main package features, which include support for ground-state, time-evolution, and finite-temperature simulations in systems with different physical symmetries and lattice geometries. These capabilities are illustrated through various examples and technical benchmarks.

m

hierarchies and simulations on large three-dimensional lattices, establishing a scalable state-adapted alternative to conventional Heisenberg-picture weight-truncation of Pauli strings.