K-Dense-AI/scientific-agent-skills/skills/qutip/SKILL.md
qutip
Simulate and audit closed and open quantum-system models with QuTiP 5, including deterministic, trajectory, steady-state, spectral, and phase-space workflows. Use for local quantum-dynamics work where physical assumptions, dimensions, and numerical convergence must be explicit.
- Source repository stars
- 31,966
- Declared platforms
- 0
- Static risk flags
- 1
- Last source update
- 2026-07-28
- Source checked
- 2026-07-28
Decision brief
What it does—and where it fits
Simulate and audit closed and open quantum-system models with QuTiP 5, including deterministic, trajectory, steady-state, spectral, and phase-space workflows. Use for local quantum-dynamics work where physical assumptions, dimensions, and numerical convergence must be explicit.
Not for
- Tasks that require unconfirmed production actions or broad system permissions.
- Environments where the pinned source and install steps cannot be inspected.
Compatibility matrix
Platform support, with evidence labels
| Platform | Status | Evidence | What to check |
|---|---|---|---|
| Codex | Not declared | No explicit evidence | Portability before use |
| Claude Code | Not declared | No explicit evidence | Portability before use |
| Cursor | Not declared | No explicit evidence | Portability before use |
| Gemini CLI | Not declared | No explicit evidence | Portability before use |
Installation
Inspect first. Install second.
The source command is displayed only when detected. A safe inspection prompt is always available so your agent can explain every action before execution.
npx skills add https://github.com/K-Dense-AI/scientific-agent-skills --skill "skills/qutip"Inspect the Agent Skill "qutip" from https://github.com/K-Dense-AI/scientific-agent-skills/blob/e7ac42510774624f327003c95b6650e2883bc01d/skills/qutip/SKILL.md at commit e7ac42510774624f327003c95b6650e2883bc01d. List every install step, command, network request, credential, file read/write, external action, and rollback step. Explain whether it fits my task. Do not install or execute anything until I approve.
Workflow
What the source asks the agent to do
- 01
Steady states, spectra, and phase space
For wigner, qfunc, and QFunc, array element [j, k] corresponds to yvec[j], xvec[k]. In QuTiP 5.3, QFunc is initialized with fixed coordinates and called with a state; it has no .eval method. This skill never uses Python dynamic-code execution. Prefer plotwigner, Result.plotexpec…
For wigner, qfunc, and QFunc, array element [j, k] corresponds to yvec[j], xvec[k]. In QuTiP 5.3, QFunc is initialized with fixed coordinates and called with a state; it has no .eval method. This skill never uses Python…Direct spectrum is a stationary steady-state spectrum. An FFT of a finite correlation requires explicit checks for tail decay, timestep aliasing, frequency resolution, window sensitivity, and transform convention. See r… - 02
Scope
Use QuTiP for finite-dimensional quantum mechanics, quantum optics, Lindblad dynamics, trajectories, weak-coupling Bloch-Redfield models, and specialized Floquet, HEOM, and permutational-invariance methods. It is not a hardware execution SDK. Circuit and control functionality mo…
Use QuTiP for finite-dimensional quantum mechanics, quantum optics, Lindblad dynamics, trajectories, weak-coupling Bloch-Redfield models, and specialized Floquet, HEOM, and permutational-invariance methods. It is not a…This skill targets QuTiP 5.3.0, released 2026-05-22. QuTiP 5.3 requires Python 3.11 or newer. Its required distributions are NumPy (=1.23.2), SciPy (=1.9.2, excluding 1.16.0 and 1.17.0), and packaging. - 03
Reproducible uv snapshot
Create a dedicated environment and pin every direct distribution:
qutip-qip 0.4.2 (2026-06-23) is the production/stable circuit, gate, andqutip-qtrl 0.2.0 (2026-06-23) provides GRAPE and CRAB quantum optimalqutip-jax 0.1.1 (2025-05-29) is the official JAX data backend for GPU and - 04
Non-negotiable model contract
1. Units and convention. QuTiP equations normally set \(\hbar=1\). Hamiltonian entries are angular frequencies and rates have reciprocal-time units. Convert cyclic frequency with \(2\pi f\); never mix Hz and rad/s. 2. Subsystem order. tensor(A, B, C) fixes subsystem indices 0, 1…
Units and convention. QuTiP equations normally set \(\hbar=1\).Subsystem order. tensor(A, B, C) fixes subsystem indices 0, 1, 2.State validity. Check ket norm or density-matrix Hermiticity, unit trace, - 05
Qobj, dimensions, and tensor order
Prefer explicit imports and inspect both shape and structured dimensions:
Prefer explicit imports and inspect both shape and structured dimensions:Matrix shape alone is insufficient: two objects can both be 6-by-6 but encode different tensor factorizations. Read references/coreconcepts.md before building composite, superoperator, or channel models.
Permission review
Static risk signals and limitations
Runs scripts
The documentation asks the agent to run terminal commands or scripts.
python skills/qutip/scripts/two_level_simulation.py --helpRuns scripts
The documentation asks the agent to run terminal commands or scripts.
python skills/qutip/scripts/two_level_simulation.py \Evidence record
Why each signal appears
| Signal | Value | Evidence type | Meaning |
|---|---|---|---|
| Quality score | 93/100 | Computed | Documentation, specificity, maintenance, and trust rules |
| Repository stars | 31,966 | Source | Repository attention, not individual Skill quality |
| Compatibility | 0 platforms | Source | Declared in the catalog source record |
| Usage guide | automated source guide | Editorial | Generated or reviewed according to the visible evidence level |
Pinned source
Provenance and original SKILL.md
- Repository
- K-Dense-AI/scientific-agent-skills
- Skill path
- skills/qutip/SKILL.md
- Commit
- e7ac42510774624f327003c95b6650e2883bc01d
- License
- MIT
- Collected
- 2026-07-28
- Default branch
- main
View the original SKILL.md
QuTiP 5
Scope
Use QuTiP for finite-dimensional quantum mechanics, quantum optics, Lindblad dynamics, trajectories, weak-coupling Bloch-Redfield models, and specialized Floquet, HEOM, and permutational-invariance methods. It is not a hardware execution SDK. Circuit and control functionality moved to separate QuTiP family packages.
This skill targets QuTiP 5.3.0, released 2026-05-22. QuTiP 5.3 requires
Python 3.11 or newer. Its required distributions are NumPy (>=1.23.2), SciPy
(>=1.9.2, excluding 1.16.0 and 1.17.0), and packaging.
Reproducible uv snapshot
Create a dedicated environment and pin every direct distribution:
uv venv --python 3.11
uv pip install "qutip==5.3.0"
For plots:
uv pip install "qutip[graphics]==5.3.0"
Optional QuTiP family packages are independently versioned:
uv pip install "qutip-qip==0.4.2"
uv pip install "qutip-qtrl==0.2.0"
uv pip install "qutip-jax==0.1.1"
qutip-qip0.4.2 (2026-06-23) is the production/stable circuit, gate, and noisy-device simulation package. Import fromqutip_qip, notqutip.qip.qutip-qtrl0.2.0 (2026-06-23) provides GRAPE and CRAB quantum optimal control. It is not a trajectory viewer. Import fromqutip_qtrl, notqutip.control; PyPI still classifies it pre-alpha.qutip-jax0.1.1 (2025-05-29) is the official JAX data backend for GPU and automatic-differentiation experiments. It is explicitly pre-alpha.qutip-cupyis an official QuTiP-organization repository, but it has no PyPI release and its own README says it is not officially released. Do not put an unreleased Git install into a reproducible workflow.
Use a project lockfile or a hash-generating uv pip compile workflow when
transitive dependency identity must also be frozen.
Non-negotiable model contract
Before solving, record:
- Units and convention. QuTiP equations normally set (\hbar=1). Hamiltonian entries are angular frequencies and rates have reciprocal-time units. Convert cyclic frequency with (2\pi f); never mix Hz and rad/s.
- Subsystem order.
tensor(A, B, C)fixes subsystem indices0, 1, 2. Preserve that order in every state, operator, collapse channel, and partial trace.obj.ptrace([0, 2])keeps those subsystems; it does not trace them. - State validity. Check ket norm or density-matrix Hermiticity, unit trace, and eigenvalues above a stated negative tolerance. Tiny negative values may be numerical; material negativity invalidates a claimed state.
- Generator meaning. A Lindblad channel with rate
gammais represented bysqrt(gamma) * A, notgamma * A. Define what each rate measures. For example,sqrt(gamma_phi / 2) * sigmaz()gives coherence decayexp(-gamma_phi * t). - Approximations. State rotating-wave, Born-Markov, secular, weak-coupling, bath-equilibrium, truncation, symmetry, and initial-factorization assumptions wherever used.
- Numerics. Justify Hilbert truncation, output grid, integration method,
tolerances, trajectory count, and random seeds. Report
result.stats. - Convergence. Sweep every artificial cutoff: Fock dimension, time/frequency window and spacing, ODE tolerances, trajectories, Floquet harmonics, HEOM depth and bath exponents, or PIQS representation as applicable.
Qobj, dimensions, and tensor order
Prefer explicit imports and inspect both shape and structured dimensions:
from qutip import basis, qeye, sigmaz, tensor
psi = tensor(basis(2, 0), basis(3, 1))
z_on_first = tensor(sigmaz(), qeye(3))
assert psi.shape == (6, 1)
assert psi.dims == [[2, 3], [1]]
assert z_on_first.dims == [[2, 3], [2, 3]]
rho_first = psi.proj().ptrace(0) # keep subsystem 0
Matrix shape alone is insufficient: two objects can both be 6-by-6 but encode
different tensor factorizations. Read references/core_concepts.md before
building composite, superoperator, or channel models.
Choose the solver by physics
| Model | Current API | Required justification |
|---|---|---|
| Closed, pure, unitary | sesolve | Hermitian Hamiltonian; no dissipation |
| Lindblad/open or mixed | mesolve | Markovian completely positive model and channel rates |
| Quantum jumps | mcsolve | Unravelling, trajectory convergence, seeds |
| Microscopic weak bath | brmesolve | Born-Markov/weak coupling, spectra, secular choice |
| Diffusive measurement | ssesolve, smesolve | monitored versus unmonitored channels |
| Periodic drive | FloquetBasis, fsesolve, fmmesolve | verified period and Floquet convergence |
| Structured non-Markovian bath | qutip.solver.heom | bath expansion and hierarchy convergence |
| Symmetric spin ensemble | qutip.piqs | permutation symmetry and basis choice |
Do not select a more specialized solver merely because it exists.
Deterministic open-system example
QuTiP 5.3 uses ordinary option dictionaries. Solver controls, e_ops, and
args are keyword-only; the old mutable options object is gone.
import numpy as np
from qutip import basis, mesolve, sigmam, sigmaz
omega = 2.0
gamma = 0.15
tlist = np.linspace(0.0, 20.0, 401)
excited = basis(2, 0)
result = mesolve(
0.5 * omega * sigmaz(),
excited,
tlist,
c_ops=[np.sqrt(gamma) * sigmam()],
e_ops={"sigma_z": sigmaz(), "excited": excited.proj()},
options={
"method": "adams",
"atol": 1e-10,
"rtol": 1e-8,
"store_final_state": True,
"progress_bar": "",
},
)
population = np.asarray(result.e_data["excited"])
assert np.max(np.abs(population - np.exp(-gamma * tlist))) < 2e-6
assert isinstance(result.stats, dict)
If the problem is stiff, compare bdf or lsoda; do not change an integrator
without rerunning tolerance and invariant checks. QuTiP 5.3 also supports
options={"matrix_form": True} in mesolve; benchmark and validate it before
using it as a default.
Time-dependent systems
Prefer trusted Pythonic callables or numeric coefficient arrays. Do not create coefficient source strings from user input.
import numpy as np
from qutip import QobjEvo, sigmax, sigmaz
def envelope(t, amplitude, center, width):
return amplitude * np.exp(-0.5 * ((t - center) / width) ** 2)
H = QobjEvo(
[0.5 * sigmaz(), [sigmax(), envelope]],
args={"amplitude": 0.2, "center": 5.0, "width": 1.0},
)
instantaneous_H = H(5.0)
H.arguments(amplitude=0.1)
The older f(t, args) coefficient signature is deprecated in 5.3 and is
scheduled for removal in 5.5. See references/time_evolution.md.
Trajectories and stochastic solvers
import numpy as np
from qutip import basis, mcsolve, sigmam, sigmaz
tlist = np.linspace(0.0, 10.0, 201)
result = mcsolve(
0.5 * sigmaz(),
basis(2, 0),
tlist,
[np.sqrt(0.2) * sigmam()],
e_ops=[basis(2, 0).proj()],
ntraj=400,
seeds=20260723,
options={"keep_runs_results": False, "progress_bar": ""},
)
Report ntraj, result.seeds, uncertainty or repeated-seed sensitivity, and
whether individual runs were retained. Reuse seeds=previous_result.seeds only
when paired trajectories are intentional. ssesolve and smesolve use the
boolean heterodyne argument, not legacy integer noise codes.
Steady states, spectra, and phase space
import numpy as np
from qutip import QFunc, liouvillian, operator_to_vector, qfunc, steadystate
rho_ss = steadystate(H, c_ops, method="direct")
residual = (liouvillian(H, c_ops) * operator_to_vector(rho_ss)).norm()
assert residual < 1e-9
xvec = np.linspace(-5.0, 5.0, 151)
Q_once = qfunc(rho_ss, xvec, xvec)
q_many = QFunc(xvec, xvec)
Q_again = q_many(rho_ss)
assert Q_once.shape == (len(xvec), len(xvec))
For wigner, qfunc, and QFunc, array element [j, k] corresponds to
yvec[j], xvec[k]. In QuTiP 5.3, QFunc is initialized with fixed
coordinates and called with a state; it has no .eval method. This skill never
uses Python dynamic-code execution. Prefer plot_wigner, Result.plot_expect,
or explicit Matplotlib axes as documented in references/visualization.md.
Direct spectrum is a stationary steady-state spectrum. An FFT of a finite
correlation requires explicit checks for tail decay, timestep aliasing,
frequency resolution, window sensitivity, and transform convention. See
references/analysis.md.
Advanced boundaries
- Import HEOM from
qutip.solver.heom; the legacy QuTiP 4 nonmarkov HEOM namespace is stale. - Use
FloquetBasisfor modes and quasi-energies. VerifyH(t + T) == H(t)numerically and sweep basis/truncation choices. - Access PIQS with
from qutip import piqs.Dicke.pisolveis only the optimized diagonal-state/diagonal-Hamiltonian route; general Dicke-basis dynamics use the Liouvillian withmesolve. brmesolvecan violate positivity, especially without secularization. Check density-matrix eigenvalues over time.- QIP and optimal control are extension-package concerns. Never present local simulation as quantum-hardware execution.
See references/advanced.md for HEOM, Floquet, PIQS, stochastic, and extension
boundaries.
Safe local CLIs
All bundled tools are local-only, emit strict JSON, reject non-finite JSON and
unknown keys, and never load pickle files or executable model code. Simulation
imports are lazy, so every --help works without QuTiP installed.
| Script | Purpose |
|---|---|
scripts/qobj_model_validator.py | Validate bounded Qobj model JSON, dimensions, states, rates, and role compatibility |
scripts/two_level_simulation.py | Run a bounded two-level Lindblad or jump simulation |
scripts/solver_config_planner.py | Select a current solver and option/checklist plan |
scripts/convergence_sweep.py | Sweep tolerances/grid size or trajectory count on a synthetic model |
scripts/result_audit.py | Audit JSON output without deserializing Python objects |
scripts/steady_state_spectrum_planner.py | Plan bounded steady-state and direct/FFT spectral checks |
Example:
python skills/qutip/scripts/two_level_simulation.py --help
python skills/qutip/scripts/two_level_simulation.py \
--decay-rate 0.2 --t-final 10 --time-points 201 \
--output two-level.json
python skills/qutip/scripts/result_audit.py two-level.json
Completion checklist
- Record units, (\hbar), tensor order, initial state, channels, and model assumptions.
- Validate Hermiticity, norm/trace, positivity, dimensions, and generator units.
- Pin QuTiP and direct extensions; record platform, Python, NumPy, and SciPy.
- Inspect result options and stats; do not assume states were stored.
- Perform cutoff, grid, tolerance/integrator, and stochastic convergence sweeps.
- Save portable numeric/configuration summaries as JSON or text. Do not load untrusted QuTiP object/result files because object serialization can execute code.
References
references/core_concepts.md— Qobj, dimensions, tensor products, states, channels, and unit conventionsreferences/time_evolution.md— current solver signatures, options, results, QobjEvo, trajectories, and numerical controlsreferences/analysis.md— physical-state audits, steady states, correlations, spectra, and convergencereferences/visualization.md— Wigner, Q functions,QFunc, Bloch, result, and matrix plotsreferences/advanced.md— Bloch-Redfield, stochastic, Floquet, HEOM, PIQS, and QuTiP family package boundaries
Dated official sources
Verified 2026-07-23:
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