Theory-minded faculty (Profs. Roy, Vogiatzis & Hinde) from the Department of Chemistry hosted the 2019 SETCA (South-Eastern Theoretical Chemistry Association) Meeting at the University of Tennessee. Several doctoral students in the MSE department contributed posters.

Dayton Kizzire, co-advised by Prof. David Harper (Center for Renewable Carbon, UT Institute of Agriculture) & Prof. David Keffer (UTK MSE), presented a poster titled, "Modeling of Structural Features in Lignin Based Composite Materials by Hierarchical Decomposition of the Radial Distribution Function". This work was co-authored by Valerie García-Negrón (UTK MSE). This poster was selected as one of the winners of the poster competition.

Bernadette Cladek, advised by Prof. Claudia Rawn (UTK MSE), presented a poster titled, "In situ low-temperature Pair Distribution Function (PDF) analysis of CH₄ and CO₂ Hydrates as a Function of Temperature". This work was co-authored by Michelle Everett, Matt Tucker, Marshall McDonnell (all of Oak Ridge National Laboratory) & David Keffer (UTK MSE).

Valerie García-Negrón, co-advised by Prof. David Harper (Center for Renewable Carbon, UT Institute of Agriculture) & Prof. David Keffer (UTK MSE), presented a poster titled, "An Efficient Physics-based Model of Structural Features in Composite Materials by Hierarchical Decomposition of the Radial Distribution Function". This work was co-authored by Dr. Akinola Oyedele (now at Boston Consulting Group), Eduardo Ponce (UT Computer Science) & Dr. Orlando Rios (Oak Ridge National Laboratory).

Clifton Sluss, advised by Prof. David Keffer and Dr. Don Nicholson (University of North Carolina, Asheville, Physics), presented a poster titled, "Direct Entropy Calculation from Molecular Dynamics Simulation". This work was co-authored by Carrie Gao & Marshall McDonnell (both of Oak Ridge National Laboratory).

More photos on the Keffer research group site.