Notebook Gallery

The notebooks are organized by workflow role: quick introductions, method demonstrations, benchmark evidence, calibration, and model-Hamiltonian studies. They are package-client examples unless noted otherwise.

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VQE vs QPE from scratch

Conceptual H2 comparison before moving into package APIs.

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Getting started with VQE

Basic package-client VQE run for H2.

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Getting started with QITE

Projected imaginary-time relaxation for H2.

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Getting started with QRTE

Prepared-state real-time dynamics on H2.

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Getting-Started Sequence

Notebook	Focus
01_vqe_vs_qpe_from_scratch_h2.ipynb	conceptual VQE/QPE comparison
02_getting_started_vqe_h2.ipynb	basic VQE API
03_ansatz_comparison_h2.ipynb	ansatz comparison
04_optimizer_comparison_h2.ipynb	optimizer comparison
05_excited_states_h2.ipynb	excited-state overview
06_getting_started_qpe_h2.ipynb	QPE API
07_getting_started_qite_h2.ipynb	VarQITE API
08_geometry_override_h2.ipynb	explicit geometry inputs
09_bond_scan_h2.ipynb	bond scan workflow
10_adapt_vqe_h3plus.ipynb	ADAPT-VQE on H3+
11_getting_started_qrte_h2.ipynb	VarQRTE API

Method Demonstrations

Group	Notebooks
VQE excited states on H2	QSE, EOM_QSE, LR_VQE, EOM_VQE, SSVQE, VQD
Geometry	H2O bond angle
Projected dynamics	H2 real time

Benchmark Families

Family	Primary notebooks
VQE H2 benchmarks	ansatz, mapping, noise, optimizer, SSVQE, and VQD comparisons under notebooks/benchmarks/vqe/H2/
H3+ VQE benchmarks	noiseless and noisy UCC ansatz comparisons under notebooks/benchmarks/vqe/H3plus/
QPE calibration	noisy QPE, calibration sweep, and decision map under notebooks/benchmarks/qpe/H2/
Cross-method comparisons	H2, LiH, scaling, low-qubit VQE, registry coverage, and ionization-energy studies under notebooks/benchmarks/comparisons/
Non-molecule Hamiltonians	TFIM, Heisenberg, and SSH expert-mode benchmarks under notebooks/benchmarks/non_molecule/
Default calibration	VQE, VarQITE, and QPE default-calibration notebooks under notebooks/benchmarks/defaults/
QRTE validation	exact-vs-VarQRTE H2 benchmark under notebooks/benchmarks/qite/H2/

Recommended Reading Order

1. getting_started/01_vqe_vs_qpe_from_scratch_h2.ipynb

2. getting_started/02_getting_started_vqe_h2.ipynb

3. getting_started/07_getting_started_qite_h2.ipynb

4. getting_started/11_getting_started_qrte_h2.ipynb

5. notebooks/vqe/H2/ excited-state notebooks

6. notebooks/benchmarks/defaults/ calibration notebooks

7. notebooks/benchmarks/comparisons/ cross-method notebooks

The full source tree is available in the notebooks/ directory.