Microscopic Dynamics of Supercooled Liquids from First Principles.

The transition from a liquid to a glass remains one of the most poorly understood phenomena in condensed matter physics, and still no fully microscopic theory exists that can describe the dynamics of supercooled liquids in a quantitative manner over all relevant time scales. Here, we present a theoretical framework that yields near-quantitative accuracy for the time-dependent correlation functions of a glass-forming system over a broad density range. Our approach requires only simple static structural information as input and is based entirely on first principles. Owing to its ab initio nature, the framework offers a unique platform to study the relation between structure and dynamics in glass-forming matter, and paves the way towards a systematically correctable and ultimately fully quantitative theory of microscopic glassy dynamics.