# Openfermion Hamiltonian

> Molecular Hamiltonian construction skill using OpenFermion

- Skill: `a5c-ai/openfermion-hamiltonian` (Agent Skill)
- Install (CLI): `npx skillmds@latest add a5c-ai/openfermion-hamiltonian`
- Raw SKILL.md: https://api.skillmd.com/api/skills/a5c-ai/openfermion-hamiltonian/raw
- Safety review: pending (external: skill-scanner PASS, skillspector PASS)
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Coding & Dev Tools
- Author: a5c-ai (https://skillmd.com/u/a5c-ai)
- Updated: 2026-09-09
- Page: https://skillmd.com/skills/a5c-ai/openfermion-hamiltonian

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# 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