Michael F Peintinger

vibe-qc is an open-source electronic-structure code for molecules and solids whose code was written almost entirely by AI agents under the direction of one domain scientist. It puts molecular and periodic calculations behind a common Python interface and C++17 numerical core, and ships a reusable validation set: molecular Hartree–Fock energies agree with independent programs at the nanohartree scale, and conventional CCSD(T) is compared on small molecules. The set records independent-program comparisons, published benchmarks and internal consistency separately, and keeps comparisons that miss tolerance.

vibe-qc is an open-source electronic-structure code for molecules and solids whose code was written almost entirely by AI agents under the direction of one domain scientist. It puts molecular and periodic calculations behind a common Python interface and C++17 numerical core, and ships a reusable validation set: molecular Hartree–Fock energies agree with independent programs at the nanohartree scale, and conventional CCSD(T) is compared on small molecules. The set records independent-program comparisons, published benchmarks and internal consistency separately, and keeps comparisons that miss tolerance.