quantum-chemistry

Quantum chemistry and first-principles calculations for molecular properties. Use for calculating HOMO-LUMO gaps, ionization potentials, electron affinities, and electrochemical stability windows.

$ 安裝

git clone https://github.com/benchflow-ai/skillsbench /tmp/skillsbench && cp -r /tmp/skillsbench/shared_workspace/battery-electrolyte-optimization/environment/skills/quantum-chemistry ~/.claude/skills/skillsbench

// tip: Run this command in your terminal to install the skill