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Microsoft's Wavefunction Foundation Model Hits Nature Communications
Microsoft researchers published a Deep QMC wavefunction foundation model in Nature Communications; after community questions, lead author Frank Noé clarified the method extends to finite-temperature molecular dynamics.
2026-09-21 ~ 2026-09-22 · 2 episodes · 4 posts
Episode 1 · Microsoft's Deep QMC Wavefunction Foundation Model Hits Nature Communications (2026-09-21, 2 posts)
A Microsoft Research team led by Frank Noé published an ab initio wavefunction foundation model based on deep Quantum Monte Carlo in Nature Communications, accurately describing chemical bond breaking. Community members raised technical questions about its scope.
- Deep-QMC wavefunction foundation model in Nature Communications nails chemical bond breaking — FrankNoeBerlin · 2026-09-21
- Microsoft's ab initio wavefunction foundation model accurately predicts chemical bond breaking — yaakebeku1530 · 2026-09-21
Episode 2 · Author Clarifies AI Schrödinger Solver Extends to Finite-Temperature MD (2026-09-22, 2 posts)
Frank Noe clarifies that the AI method solves the electronic Schrödinger equation at fixed nuclear coordinates to define a Born–Oppenheimer surface covering bond breaking, enabling finite-temperature molecular dynamics on it.
- Frank Noe Clarifies How Their AI Solves the Electronic Schrödinger Equation — FrankNoeBerlin · 2026-09-22
- Author clarifies: AI method covers bond breaking on ground-state surface, not photoexcitation — FrankNoeBerlin · 2026-09-22