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Babysitter openfermion-hamiltonian

Molecular Hamiltonian construction skill using OpenFermion

install
source · Clone the upstream repo
git clone https://github.com/a5c-ai/babysitter
Claude Code · Install into ~/.claude/skills/
T=$(mktemp -d) && git clone --depth=1 https://github.com/a5c-ai/babysitter "$T" && mkdir -p ~/.claude/skills && cp -r "$T/library/specializations/domains/science/quantum-computing/skills/openfermion-hamiltonian" ~/.claude/skills/a5c-ai-babysitter-openfermion-hamiltonian && rm -rf "$T"
manifest: library/specializations/domains/science/quantum-computing/skills/openfermion-hamiltonian/SKILL.md
tags
#quantum-computing#molecular-modeling#hamiltonian-construction#openfermion#quantum-chemistry#second-quantization
source content

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