Michael F. Peintinger

VIBE-QC: an open-source, general-purpose electronic-structure code for molecules and solids developed with generative AI

We present VIBE-QC, a general-purpose open-source electronic-structure code for molecules and solids, developed almost entirely through generative-AI-assisted programming (“vibe-coding”) under expert human direction. The molecular stack provides Hartree–Fock and Kohn–Sham DFT over the full LIBXC library, analytic gradi...