Theoretical Research
We're a research team based at the University of California, Irvine and our focus is to probe a new type of chemistry that occurs in the atmosphere at the interface between air and water.
Our theoretical approaches to research include:
- Ab initio quantum chemical calculations
- Molecular dynamics simulations
- Theoretical treatments of capillary waves on liquid surfaces
We use these theoretical approaches to interpret the experimental data at the most fundamental level. For example, the graphic below shows the top view of an MD simulation of NaCl dissolved in water. Note the ready availability of chloride ions (the yellow-green balls) at the air-water interface. It is this availability of chloride at the interface that allows it to participate in unusual surface reactions.
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