Author clarifies: AI method covers bond breaking on ground-state surface, not photoexcitation
FrankNoeBerlin · x · 2026-09-22
Answering questions about the Microsoft Research work, Frank Noé clarifies: they solve the electronic Schrödinger equation at fixed nuclear coordinates, defining the Born–Oppenheimer potential-energy surface; nuclear motion can then be simulated at finite temperature on that surface with MD. Bond breaking on the ground-state surface is included — where strong electronic correlation matters — but nonadiabatic dynamics between electronic states, e.g. photoexcitation and conical intersections, are not described.
Related event: Author Clarifies AI Schrödinger Solver Extends to Finite-Temperature MD(2 posts)→
More from Research
- Limite trained from scratch on under 300B math-heavy tokens, nanogpt-speedrun-inspired — tensorqt · 2026-09-22
- Forging 1024-bit RSA signatures in nearly SNFS time, sans factoring N — matthew_d_green · 2026-09-22
- Multi-turn evaluation changes what it means to pass the Turing test — CShorten30 · 2026-09-22
- Paradigma's 1B model scores 74.25% on BeyondAIME, trained on under 300B tokens — tensorqt · 2026-09-22
- Halo RL training platform launches with SGLang as primary rollout engine — ying11231 · 2026-09-22
- NYU Tandon hires performative prediction researcher Juan Carlos Perdomo as assistant professor — thegautamkamath · 2026-09-22