Frank Noe Clarifies How Their AI Solves the Electronic Schrödinger Equation
FrankNoeBerlin · x · 2026-09-22
Answering whether electrons are treated at 0 K and bond breaking is captured, Frank Noe (MSFT Research) 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, e.g. with MD.
Related event: Author Clarifies AI Schrödinger Solver Extends to Finite-Temperature MD(2 posts)→
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