tech/software

Science News

Generative AI Gets a Chemistry Lesson: Valence Constraints Improve Materials Discovery

Generative AI models are increasingly being applied to materials science, but designing computationally stable and chemically plausible new materials remains a significant challenge. A new approach reported in Nature addresses this by embedding valence constraints directly into the generative modeling process. Valence rules—the constraints that govern how atoms bond—
Alper Konuralp