Major breakthroughs:

1. Theoretical Study of CO2 Adsorption on Transition Metal SurfacesCarrie A. Farberow, Graduate Student, University of Wisconsin - MadisonAdvisor: Prof. Manos Mavrikakis, Department of Chemical and Biological Engineering • Technical accomplishments: • Learned the GPAW density functional theory code and ported the code to computing resources in the U.S. for future use by the Computational Surface Science and Catalysis research group at the University of Wisconsin - Madison • Completed electronic structure calculations using the GPAW code to study the adsorption of CO2 on close packed late transition metal surfaces Major breakthroughs: Implementation of van der Waals interactions in GPAW calculations to better describe the weak binding between CO2 and transition metal surfaces PIRE Activities:International Graduate Research Internship at CAMD-DTU Other Efforts/Outreach: Mentor for undergraduate PIRE REU participant also from the University of Wisconsin - Madison