CNIC: Benchmark Studies of Collisional Energy Transfer using Mixed Quantum/Classical Theory

Marquette University, Milwaukee WI

Investigators

Abstract

This project will examine how energy is processed by collisional energy transfer through rotational and vibrational states of water and other small organic molecules. These fundamental processes, which are at the core of many chemical phenomena, are very poorly understood and are not amenable to simple experimental analysis. In collaboration with a leading computational expert at the University of Pierre and Marie Curie in Paris, France, the researchers will conduct benchmark calculations for these processes. The data from this study has the potential to have a profound impact on the fields of astrophysics and astrochemistry. Understanding energy transfer in a molecule as important as water will provide a clearer understanding of how energy is processed, in both terrestrial and astrophysical environments. This study has the potential to yield insight on the early history of the Earth?s atmosphere and make a significant contribution to global databases of astrophysics and astrochemistry. The international collaboration will offer the postdoc involved in the study outstanding access to the facilities and expertise of leading scientists in the field, and ensure that the US postdoc can participate in a globally competitive workforce.