Microsoft's ab initio wavefunction foundation model accurately predicts chemical bond breaking

yaakebeku1530 · x · 2026-09-21

Microsoft Research released an ab initio foundation model of wavefunctions built on deep Quantum Monte Carlo that accurately describes chemical bond breaking. A commenter raises a technical question: since the model treats electrons as wavefunctions at effectively 0 K and molecular configurations as classical, does it technically fail to capture electron-vibrational energy exchange during bond breaking?

Related event: Microsoft's Deep QMC Wavefunction Foundation Model Hits Nature Communications(2 posts)→

Original post →

More from Research

Research channel →