This repository contains the complete experimental datasets accompanying the paper
Application-Oriented Evaluation of CPU/GPU Quantum Simulators: From Canonical Quantum Circuits to Molecular Simulation
The repository provides the raw benchmark outputs used to generate every figure, table, and statistical analysis presented in the manuscript.
qsim-benchmark-data/
│
├── data/
│ ├── exp1_ghz/
│ │ ├── nvidia_fp32_ghz_results.csv
│ │ ├── nvidia_fp64_ghz_results.csv
│ │ ├── nvidia_qpp-cpu_ghz_results.csv
│ │ ├── qiskit_aer_ghz_results.csv
│ │ └── qiskit_svs_ghz_results.csv
│ │
│ ├── exp2_qft_mirror/
│ │ ├── cudaq_qft_mirror.csv
│ │ └── qiskit_qft_mirror.csv
│ │
│ ├── exp3_vqe_h2/
│ │ └── vqe_h2.csv
│ │
│ ├── exp4_vqe_ansatz/
│ │ ├── cudaq_vqe_uccsd_benchmark_results.csv
│ │ ├── cudaq_vqe_lcnot_uccsd_benchmark_results.csv
│ │ ├── qiskit_vqe_uccsd_benchmark_results.csv
│ │ └── qiskit_vqe_lcnot_uccsd_benchmark_results.csv
│ │
│ ├── exp5_sampling_hchains/
│ │ ├── cudaq_sampling_lcnot_uccsd_benchmark_results.csv
│ │ └── qiskit_sampling_lcnot_uccsd_benchmark_results.csv
│ │
│ └── exp6_n2_pes/
│ ├── N2_cc-pvdz_cudaq_qsci_rbm_lcnot_uccsd_cas10_16_results.csv
│ └── N2_cc-pvdz_cudaq_pes_sqd_lcnot_uccsd_cas10_16_results.csv
│
├── HARDWARE.md
├── environment.yml
├── requirements.txt
├── LICENSE
└── CITATION.cff
The repository contains benchmark data from six experimental studies.
| Experiment | Description |
|---|---|
| Experiment 1 | GHZ-state simulation performance on CPU and GPU backends |
| Experiment 2 | Quantum Fourier Transform (QFT) mirror-circuit benchmarking |
| Experiment 3 | Variational Quantum Eigensolver (VQE) for molecular hydrogen using CUDA-Q and CUDAQ-X |
| Experiment 4 | UCCSD and LCNOT-UCCSD ansatz benchmarking across CUDA-Q and Qiskit |
| Experiment 5 | Quantum circuit sampling benchmarks using LCNOT-UCCSD circuits |
| Experiment 6 | Nitrogen (N₂) potential energy surface calculations using SQD and QSCI workflows |
The CSV files contain the raw measurements used for statistical analysis and figure generation in the accompanying publication.
The software environment used to generate these datasets is provided through
environment.ymlrequirements.txt
to facilitate reproducibility.
Detailed hardware specifications for every benchmark are provided in
HARDWARE.md
This includes CPU, GPU, and memory information used throughout the study.
This dataset is distributed under the Creative Commons Attribution 4.0 International (CC BY 4.0) license.
See the LICENSE file for details.
If you use this dataset in your research, please cite both the accompanying publication and this archived dataset.
Dataset DOI
https://doi.org/10.5281/zenodo.21189705
GitHub provides a formatted citation via the "Cite this repository" button, while Zenodo provides BibTeX, RIS, and other citation formats.