Molecular Dynamics and Machine Learning reveal Charge Transfer Process

Simons Postdoctoral Fellow, Jinggang Lan, together with EPFL researchers, Majed Chergui and Alfredo Pasquarello, has studied the intricate interactions between electrons and their solvent environments.   Their work, recently published in Nature Communications, represents a major step in understanding a critical process of many chemical phenomena, and might be the first step to improving energy conversion technologies.

Details may be found on the EPFL news release.

REFERENCE

Jinggang Lan, Majed Chergui, Alfredo Pasquarello. Dynamics of the Charge Transfer to Solvent Dynamics in Aqueous Iodide. Nature Communications 21 March 2024. DOI: 10.1038/s41467-024-46772-0