Who is on the team? 
Owen Millers
Sydney Wilson
Lydia Heckler

What is your project?
The project entailed learning about computational chemistry and using it to study the effect of Al cluster size on H2 bonding. We used IQMol to build molecules and wrote inputs to optimize the geometry of different molecules and calculate energies, Mulliken charges, and Mulliken spin. The final goal was to increase the size of the Al nanoparticle to establish a relationship between Mulliken charge and nanoparticle size. As a team, we’ve learned how to work together to solve problems and make conclusions about our data.

Who was on the team? 
Jennifer Lane-Murcia
Heeseon Shin 
Quintin Blad
Chengcheng Liu 

What is your project?

Over the summer undergraduate research opportunity, our team investigated, replicated, extended, and reflected on Metal-Organic Framework research. We worked on researching the possibility of using an X-MOF (X = Fe, V) as a catalyst for the CO2 reduction reaction. We learned about computational chemistry, how to use different programs, as well as learn about the research project and how to work well as a team.

Who was on the team? 
John Albert
Lauren Andrews
Chris McBride

What is your project?
We design catalysts that function to reduce CO2 to CO which can ultimately be used for the production of fuels. This was done utilizing density functional theory to test the effects on catalytic binding energy by modifying metal center, coordinating atom and electron density. Specific attention has been applied to CO2 coordination to the catalyst and the resultant effect on binding energy.

Why is it interesting?
If we can find a catalyst to reduce the amounts of CO2 in the atmosphere, we can greatly improve the environmental impact that this excess CO2 has had. The use of this converted CO2 for fuel would be a very valuable energy source.

Who is on the team?
Gabe Armas
Sungmin Moon
Seth Hoogendoorn
Emily Amato
Jingwen Chan

What is your project?
We perform calculations using Gaussian and QChem to better understand pyrazine carbon systems.