Another example of vibe-coded chemistry software.
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 gradients and Hessians, Møller–Plesset theory and double hybrids, coupled cluster with local-correlation variants, multireference methods, excited states, dispersion, continuum solvation, effective core potentials, and semiempirical methods. The periodic stack treats one-, two-, and three-dimensional systems at multiple 𝒌 through three Fock-build routes.
The paper is here https://chemrxiv.org/doi/full/10.26434/chemrxiv.15007558/v2
VIBE-QC, VIBE-VIEW, and VIBE-QUEUE use the Mozilla Public License, version 2.0; the QVF
specification and toolkit use Apache 2.0.
Code is on GitHub https://github.com/vibyverse/vibe-qc