openfermion-hamiltonian

Molecular Hamiltonian construction skill using OpenFermion

509 stars

Best use case

openfermion-hamiltonian is best used when you need a repeatable AI agent workflow instead of a one-off prompt.

Molecular Hamiltonian construction skill using OpenFermion

Teams using openfermion-hamiltonian should expect a more consistent output, faster repeated execution, less prompt rewriting.

When to use this skill

You want a reusable workflow that can be run more than once with consistent structure.

When not to use this skill

You only need a quick one-off answer and do not need a reusable workflow.
You cannot install or maintain the underlying files, dependencies, or repository context.

Installation

Claude Code / Cursor / Codex

$curl -o ~/.claude/skills/openfermion-hamiltonian/SKILL.md --create-dirs "https://raw.githubusercontent.com/a5c-ai/babysitter/main/library/specializations/domains/science/quantum-computing/skills/openfermion-hamiltonian/SKILL.md"

Manual Installation

Download SKILL.md from GitHub
Place it in .claude/skills/openfermion-hamiltonian/SKILL.md inside your project
Restart your AI agent — it will auto-discover the skill

How openfermion-hamiltonian Compares

Feature / Agent	openfermion-hamiltonian	Standard Approach
Platform Support	Not specified	Limited / Varies
Context Awareness	High	Baseline
Installation Complexity	Unknown	N/A

Frequently Asked Questions

What does this skill do?

Molecular Hamiltonian construction skill using OpenFermion

Where can I find the source code?

You can find the source code on GitHub using the link provided at the top of the page.

SKILL.md Source

# OpenFermion Hamiltonian

## Purpose

Provides expert guidance on molecular Hamiltonian construction and fermion-to-qubit mappings using OpenFermion for quantum chemistry applications.

## Capabilities

- Molecular Hamiltonian generation
- Jordan-Wigner transformation
- Bravyi-Kitaev transformation
- Parity transformation
- Second quantization handling
- Symmetry reduction
- Active space selection
- Hamiltonian term grouping

## Usage Guidelines

1. **Molecular Setup**: Define molecular geometry and basis set
2. **Hamiltonian Generation**: Compute molecular integrals and construct Hamiltonian
3. **Transformation Selection**: Choose appropriate fermion-to-qubit mapping
4. **Qubit Reduction**: Apply symmetry and active space reductions
5. **Term Analysis**: Analyze Hamiltonian structure for circuit design

## Tools/Libraries

- OpenFermion
- OpenFermion-PySCF
- OpenFermion-Psi4
- Qiskit Nature
- PennyLane

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