Machine learning dynamic correlation in chemical kinetics

Lattice models are a useful tool to simulate the kinetics of surface reactions. Since it is expensive to propagate the probabilities of the entire lattice configurations, it is practical to consider the occupation probabilities of a typical site or a cluster of sites instead. This amounts to a momen...

Full description

Bibliographic Details
Main Authors: Kim, Changhae Andrew, Ricke, Nathan D., Van Voorhis, Troy
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:English
Published: AIP Publishing 2022
Online Access:https://hdl.handle.net/1721.1/141336.2