2017 Hellman Fellow
Assistant Professor, Chemistry
Project title: Molecular characterization of ice surfaces as catalyst of ozone depletion reactions
In my group we develop and use predictive multiscale modeling to study non-equilibrium processes and characterize materials at the molecular scale. We perform numerical simulations applied to chemistry for energy and the environment.
Ice particles in polar stratospheric clouds favor the depletion of the ozone layer, catalyzing the formation of radicals from gases containing halogens, such as chlorine. This project aims at unraveling the energetics and molecular mechanisms of the interaction of hydrogen chloride with ice surfaces and its transformation into molecular chlorine, by multiscale molecular modeling. Our calculations will aid the interpretation of atmospheric chemistry experiments, and will provide quantitative parameters to predict how the stratosphere would respond to climate changes.
Group webpage: https://nanotheory.github.io/