First heterogeneous quantum-classical computation on FLiBe clusters for tritium binding using EWF partitioning and ext-SQD on IBM hardware matches FCI fragment energies within 0.3 kcal/mol MAD but shows 12-110 kcal/mol errors in conformational and binding differences due to fragment construction.
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Quantum computing with Qiskit
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abstract
We describe Qiskit, a software development kit for quantum information science. We discuss the key design decisions that have shaped its development, and examine the software architecture and its core components. We demonstrate an end-to-end workflow for solving a problem in condensed matter physics on a quantum computer that serves to highlight some of Qiskit's capabilities, for example the representation and optimization of circuits at various abstraction levels, its scalability and retargetability to new gates, and the use of quantum-classical computations via dynamic circuits. Lastly, we discuss some of the ecosystem of tools and plugins that extend Qiskit for various tasks, and the future ahead.
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- abstract We describe Qiskit, a software development kit for quantum information science. We discuss the key design decisions that have shaped its development, and examine the software architecture and its core components. We demonstrate an end-to-end workflow for solving a problem in condensed matter physics on a quantum computer that serves to highlight some of Qiskit's capabilities, for example the representation and optimization of circuits at various abstraction levels, its scalability and retargetability to new gates, and the use of quantum-classical computations via dynamic circuits. Lastly, we d
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co-cited works
representative citing papers
A constant-depth, parallelizable protocol using repeated non-destructive single-qubit measurements can separately characterize state-preparation and measurement errors.
CLAIMSTAB-QC audits 455 comparative claims from 119 quantum-software papers and identifies a materialization gap where only 8 claims provide enough matched evidence for direct auditing, yielding 2 sustained, 4 unresolved, and 2 reversed outcomes.
BPBO performs certified local resynthesis on one- to three-wire regions of BFK09 brickwork to reduce pattern size while preserving UBQC blindness, demonstrated on Grover and Toffoli cases with reductions up to 3x725 to 3x98.
Quantum Fourier generative models are trained classically at over 1000-qubit scale using log-likelihood loss from Parseval's identity and deployed on superconducting hardware for fast sampling that preserves multi-modal structure.
TBE identifies 32.1% of 92,011 equivalent surviving quantum mutants (29,536) via OpenQASM comparison after transpilation, reporting 100% precision and 82% accuracy on 348,299 mutants.
Hardware demonstration of nonequilibrium steady states via stochastic mid-circuit measurements and resets on a superconducting quantum processor for the interacting Floquet transverse-field Ising model.
Recursive grouping of Pauli terms with anti-commuting sign-flip strings reduces compiled T depth by 85.2% and CX depth by 68.9% on a 24-spin Kagome Hamiltonian versus term-by-term controlled rotations.
A QAOA variant without quadratic penalties, using independent sets in a conflict graph, is applied to lattice protein folding and validated on proteins up to length 14 via simulation and heuristic search.
Green-Kubo transport coefficients are recast as a quantum phase estimation readout problem inside the Koopman-von Neumann representation of classical NVE and NVT dynamics.
A compiler for neutral-atom NISQ devices introduces hub traps and shuttling rules to compile circuits that SWAP-only methods cannot handle in practical time, eliminating SWAP gates and improving a fidelity proxy on routing-dominated benchmarks.
QAVG reconstructs sub-resolution excitation spectra of a CO/χ-Fe5C2 model via averaged variable-grid QPE on Quantinuum H2-2 with Steane-code error correction.
A new step size rule lets boosted stochastic Frank-Wolfe match ordinary stochastic Frank-Wolfe rates on nonconvex and quasar-convex problems and deliver faster empirical convergence on sparse logistic regression and quantum tomography.
A new compilation framework treats quantum channels as first-class objects via ChannelIR and LindFront, achieving up to 99% gate count reduction on Lindbladian benchmarks versus unoptimized and Stinespring baselines.
A local SU(2) symmetry-based product formula clusters Hamiltonian terms into at most four classes for exact two-qubit implementations, cutting commutator errors and gate count in many-body simulations.
Explicit reversible quantum oracles for bounded Diophantine systems achieve quadratic speedup with qubit count O((n + d²) log₂ N) and Toffoli depth O(q²).
QAP-Router models qubit routing as dynamic QAP and applies RL with a solution-aware Transformer to cut CNOT counts by 12-30% versus industry compilers on real circuit benchmarks.
TuniQ uses RL with a dual-encoder, shaped rewards, and action masking to autotune quantum compilation passes, improving fidelity and speed over Qiskit while generalizing across backends and scaling to large circuits.
HBR decomposition quantifies per-phase fidelity loss in quantum compilers, revealing that routing causes up to 60% loss in search circuits while synthesis dominates Hamiltonian simulation, and correctly predicts SDK rankings on both simulation and real hardware.
Zero-noise extrapolation has a finite-shot help-harm boundary below which it increases local mean-squared error due to variance penalties outweighing bias reduction.
Clifft introduces a factored-state simulator that shifts exponential cost to a dynamic active subspace, generalizing Stim's compile-once model to near-Clifford circuits and enabling the first exact end-to-end simulations of magic-state cultivation over hundreds of billions of shots.
Explicit first- and second-order Trotter circuits are constructed for the discretized 3D elastic wave equation with derived error bounds and qubit/CNOT complexity estimates in terms of grid size, time, accuracy, and material parameters.
QuIC provides a training-free quantum graph embedding proven permutation-invariant and injective for labeled graphs under an irrational-angle condition in the ideal case, with empirical separation shown on noisy hardware for hard graph families including CFI instances.
Qurator jointly optimizes queue time and fidelity for hybrid quantum-classical workflows across providers using quantum-aware DAG scheduling and a unified logarithmic fidelity score, achieving 30-75% wait reduction at high load with bounded accuracy cost.
citing papers explorer
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Quantum Computations on Fusion Blanket Molten Salts
First heterogeneous quantum-classical computation on FLiBe clusters for tritium binding using EWF partitioning and ext-SQD on IBM hardware matches FCI fragment energies within 0.3 kcal/mol MAD but shows 12-110 kcal/mol errors in conformational and binding differences due to fragment construction.
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Separate and efficient characterization of state-preparation and measurement errors using single-qubit operations
A constant-depth, parallelizable protocol using repeated non-destructive single-qubit measurements can separately characterize state-preparation and measurement errors.
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Auditing Empirical Comparisons in Quantum Software
CLAIMSTAB-QC audits 455 comparative claims from 119 quantum-software papers and identifies a materialization gap where only 8 claims provide enough matched evidence for direct auditing, yielding 2 sustained, 4 unresolved, and 2 reversed outcomes.
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BPBO: Blindness-Preserving Brickwork Optimization by Certified Region Resynthesis
BPBO performs certified local resynthesis on one- to three-wire regions of BFK09 brickwork to reduce pattern size while preserving UBQC blindness, demonstrated on Grover and Toffoli cases with reductions up to 3x725 to 3x98.
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Quantum Fourier Generative Models Trainable at Large Scale
Quantum Fourier generative models are trained classically at over 1000-qubit scale using log-likelihood loss from Parseval's identity and deployed on superconducting hardware for fast sampling that preserves multi-modal structure.
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Quantum Mutant Equivalence via Transpilation
TBE identifies 32.1% of 92,011 equivalent surviving quantum mutants (29,536) via OpenQASM comparison after transpilation, reporting 100% precision and 82% accuracy on 348,299 mutants.
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Nonequilibrium steady states induced by stochastic mid-circuit measurements and resets on a quantum computer
Hardware demonstration of nonequilibrium steady states via stochastic mid-circuit measurements and resets on a superconducting quantum processor for the interacting Floquet transverse-field Ising model.
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Efficient Quantum Circuit Construction of Controlled Time-Evolution for Arbitrary Pauli-Sum Hamiltonians
Recursive grouping of Pauli terms with anti-commuting sign-flip strings reduces compiled T depth by 85.2% and CX depth by 68.9% on a 24-spin Kagome Hamiltonian versus term-by-term controlled rotations.
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Penalty-free quantum optimization applied to lattice protein folding
A QAOA variant without quadratic penalties, using independent sets in a conflict graph, is applied to lattice protein folding and validated on proteins up to length 14 via simulation and heuristic search.
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Koopman--von Neumann Molecular Dynamics for Green--Kubo Transport Coefficients
Green-Kubo transport coefficients are recast as a quantum phase estimation readout problem inside the Koopman-von Neumann representation of classical NVE and NVT dynamics.
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A Neutral-Atom Quantum Compiler with Application-Specific Layout and Hub-Assisted Shuttling
A compiler for neutral-atom NISQ devices introduces hub traps and shuttling rules to compile circuits that SWAP-only methods cannot handle in practical time, eliminating SWAP gates and improving a fidelity proxy on routing-dominated benchmarks.
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Error-corrected phase estimation averaged over variable grids on a trapped-ion quantum computer: hyperacuity spectra of a CO molecule adsorbed onto $\chi$-Fe$_5$C$_2$
QAVG reconstructs sub-resolution excitation spectra of a CO/χ-Fe5C2 model via averaged variable-grid QPE on Quantinuum H2-2 with Steane-code error correction.
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Boosted Stochastic Frank-Wolfe for Constrained Nonconvex Optimization
A new step size rule lets boosted stochastic Frank-Wolfe match ordinary stochastic Frank-Wolfe rates on nonconvex and quasar-convex problems and deliver faster empirical convergence on sparse logistic regression and quantum tomography.
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A Compilation Framework for Quantum Simulation of Non-unitary Dynamics
A new compilation framework treats quantum channels as first-class objects via ChannelIR and LindFront, achieving up to 99% gate count reduction on Lindbladian benchmarks versus unoptimized and Stinespring baselines.
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Beyond Commutativity: Redesigning Trotter Decomposition via Local Symmetry
A local SU(2) symmetry-based product formula clusters Hamiltonian terms into at most four classes for exact two-qubit implementations, cutting commutator errors and gate count in many-body simulations.
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From Hilbert's Tenth Problem to Quantum Speedup: Explicit Oracles for Bounded Diophantine Systems
Explicit reversible quantum oracles for bounded Diophantine systems achieve quadratic speedup with qubit count O((n + d²) log₂ N) and Toffoli depth O(q²).
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QAP-Router: Tackling Qubit Routing as Dynamic Quadratic Assignment with Reinforcement Learning
QAP-Router models qubit routing as dynamic QAP and applies RL with a solution-aware Transformer to cut CNOT counts by 12-30% versus industry compilers on real circuit benchmarks.
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TuniQ: Autotuning Compilation Passes for Quantum Workloads at Scale for Effectiveness and Efficiency
TuniQ uses RL with a dual-encoder, shaped rewards, and action masking to autotune quantum compilation passes, improving fidelity and speed over Qiskit while generalizing across backends and scaling to large circuits.
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Per-Phase Fidelity Attribution for Quantum Compilers using HBR Decomposition
HBR decomposition quantifies per-phase fidelity loss in quantum compilers, revealing that routing causes up to 60% loss in search circuits while synthesis dominates Hamiltonian simulation, and correctly predicts SDK rankings on both simulation and real hardware.
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The finite-shot help-harm boundary of zero-noise extrapolation
Zero-noise extrapolation has a finite-shot help-harm boundary below which it increases local mean-squared error due to variance penalties outweighing bias reduction.
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Clifft: Fast Exact Simulation of Near-Clifford Quantum Circuits
Clifft introduces a factored-state simulator that shifts exponential cost to a dynamic active subspace, generalizing Stim's compile-once model to near-Clifford circuits and enabling the first exact end-to-end simulations of magic-state cultivation over hundreds of billions of shots.
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Hamiltonian simulation for 3D elastic wave equations in homogeneous elastic media
Explicit first- and second-order Trotter circuits are constructed for the discretized 3D elastic wave equation with derived error bounds and qubit/CNOT complexity estimates in terms of grid size, time, accuracy, and material parameters.
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QuIC: A Training-Free Quantum Graph Embedding from Ideal Analysis to Practical Hardware Evaluation
QuIC provides a training-free quantum graph embedding proven permutation-invariant and injective for labeled graphs under an irrational-angle condition in the ideal case, with empirical separation shown on noisy hardware for hard graph families including CFI instances.
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Qurator: Scheduling Hybrid Quantum-Classical Workflows Across Heterogeneous Cloud Providers
Qurator jointly optimizes queue time and fidelity for hybrid quantum-classical workflows across providers using quantum-aware DAG scheduling and a unified logarithmic fidelity score, achieving 30-75% wait reduction at high load with bounded accuracy cost.
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Hybrid Fourier Neural Operator for Surrogate Modeling of Laser Processing with a Quantum-Circuit Mixer
HQ-LP-FNO replaces part of the spectral channel mixing in a 3D FNO with a mode-shared VQC, reducing parameters by 15.6% and phase-fraction MAE by 26% on laser-processing surrogates while remaining stable under calibrated noise.
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Characterizing and Benchmarking Dynamic Quantum Circuits
Dynamarq is a new scalable benchmarking framework that defines structural features for dynamic quantum circuits and uses statistical models to predict hardware fidelity with transferable parameters.
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Explicit Block Encodings of Discrete Laplacians with Mixed Boundary Conditions
A modular block-encoding framework for finite-difference Laplacians supporting arbitrary combinations of Dirichlet, periodic, and Neumann boundary conditions across dimensions.
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Cluster-Adaptive Sample-Based Quantum Diagonalization for Strongly Correlated Systems
CSQD improves SQD energy estimates in strongly correlated systems by replacing a global reference occupancy vector with cluster-specific ones, lowering energies by up to 15.95 mHa for stretched N2 and 57.82 mHa for [2Fe-2S].
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Holographic Representation of One-Dimensional Many-Body Quantum States via Isometric Tensor Networks
Holographic isoTNS represent volume-law entangled states including arbitrary fermionic Gaussian states, Clifford states, and certain short-time evolved states using an extra network dimension with isometric constraints.
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Excited state preparation on a quantum computer through adiabatic light-matter coupling
EXASP prepares the lowest bright excited state of a fermionic Hamiltonian by adiabatically evolving a ground-state-plus-photon system, demonstrated on Hubbard chains, methylene, and a two-qubit IBM chip.
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Helios: A 98-qubit trapped-ion quantum computer
Helios achieves 98 qubits with single-qubit gate infidelity 2.5(1)×10^{-5}, two-qubit 7.9(2)×10^{-4}, and SPAM 4.8(6)×10^{-4}, enabling circuits beyond classical simulation.
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Cobble: Compiling Block Encodings for Quantum Computational Linear Algebra
Cobble is a domain-specific language for quantum block encodings that compiles high-level matrix expressions to optimized circuits using analyses and quantum singular value transformation, achieving 2.6x-25.4x speedups over unoptimized baselines on benchmarks.
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Certifying localizable quantum properties with constant sample complexity
A conditional-fidelity witness on projected small subsystems certifies entanglement, magic, and circuit complexity of generic many-body states with constant sample complexity, with fidelity certification supported by numerics.
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Near-Heisenberg-limited parallel amplitude estimation with logarithmic depth circuit
A parallelized amplitude estimation algorithm achieves near-Heisenberg query complexity with logarithmic circuit depth by combining a GHZ state with QSP-based phase shifters.
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Inference of maximum parsimony phylogenetic trees with model-based classical and quantum methods
Introduces branch-based and other optimization models for maximum parsimony trees, with classical validation outperforming heuristics on GAPDH data and quantum simulations solving small instances exactly.
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Identifying Protein Co-regulatory Network Logic by Solving B-SAT Problems through Gate-based Quantum Computing
Grover's algorithm solves a B-SAT encoding of protein co-regulatory logic to recover high-likelihood Boolean models for a 5-protein neural development network from sparse data on quantum simulators and NISQ devices.
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Efficient Compilation for Shuttling Trapped-Ion Machines via the Position Graph Architectural Abstraction
Position graph abstraction plus SHAPER/SHAW heuristics enable shuttling-aware compilation on trapped-ion machines, succeeding on extreme cases where baselines fail and yielding 1.45x average (up to 4x) speedups.
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Works on My QPU: Reproducibility in Quantum Computing Research
A large-scale audit finds that only ~25% of quantum-computing papers provide code artifacts and ~65% of those artifacts fail to execute in a clean environment.
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RubriQ: Rubric-Guided Group Relative Policy Optimization for Constraint-Aware Quantum Circuit Synthesis
A rubric-guided GRPO pipeline fine-tunes a 7B LLM to synthesize quantum circuits achieving 3.31x T-gate compression with <1% hardware-constraint violations, validated on IBM and IonQ processors.
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SQGen: Structured Quantum Image Generation with Latent-Modulated Quantized Tensor Trains
SQGen maps a quantized tensor-train image model with latent-modulated re-uploading rotations onto a shallow native quantum circuit that generates images without a classical decoder.
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Noisy quantum circuit simulation with the tensor jump method
cTJM combines local TDVP MPS gate evolution with variance-aware Pauli-Lindblad jump sampling, cutting trajectory variance and bond growth on noisy circuits up to 127 qubits.
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Explainable quantum neural networks for multi-material topology optimization
XQNN is a quantum neural network trained solely on fixed-mesh 2D multi-material topology optimization histories that generalizes to out-of-distribution loads, refined meshes, and 3D voxel problems without retraining.
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Pauli Weight Hamiltonian Term Selection for Optimized Machine Learning Based Quantum Error Mitigation
Pi-QEM selects dominant low-weight Pauli strings for ML training in quantum error mitigation, reducing ground-state energy estimation error by up to 34.01% using a single observable in molecular simulations on noisy IBM backends.
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Perturbatively Corrected Linear Response Selected Configuration Interaction
LR-SCI-PT with second-order Epstein-Nesbet corrections improves static polarizabilities toward FCI limits for small molecules but preserves the parent pole structure, limiting it to static properties.
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Challenges in Barren Plateau Mitigation with Dynamic Parameterized Quantum Circuits
Adding non-unitary gadgets to variational quantum circuits can create an illusion of trainability — the cost varies, but most parameters remain exponentially hard to train.
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QVaR: a Quantum Variational Regularization method for Linear Inverse Problems
QVaR formulates Tikhonov and sparsity-regularized inverse problems as QUBO for quantum solvers, introduces quantum sensitivity, and derives bounds linking quantum perturbations to classical ill-posedness.
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All-valid-state HOBO encoding for constrained combinatorial optimization on NISQ devices
Authors introduce AVS-HOBO encoding for TSP that eliminates one penalty term via cyclic mapping and report improved VQE performance in noiseless simulations and hardware runs compared to standard HOBO.
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Certified Finite-Shot Operating Windows for Virtual Distillation and Symmetry Verification
Proves finite-shot mean-squared-error laws for virtual distillation and symmetry verification that define certified operating windows and a selection trichotomy for their comparison.
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Simultaneous Estimation of Partial-Transpose Moments with Active Memory Independent of the Moment Order
A qubit-reuse protocol estimates partial-transpose moments p_2 to p_K simultaneously to additive error ε using O(K log K / ε²) copies and at most 2n+1 active qubits independent of K, with matching Ω(K/ε²) lower bounds.
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Quantum Mechanical Studies of Photodissociation Dynamics on Quantum Computers
Quantum algorithm for photodissociation wavefunction propagation on quantum computers via split-operator, QFT, dilated non-unitary absorber, and Hadamard-test autocorrelation, matching benchmarks on NOCl under ideal conditions with noise robustness.