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Chemistry Department Hosts 2019 SETCA Meeting

The theoretical and computational division of the Department of Chemistry hosted the 2019 SETCA (Southeastern Theoretical Chemistry Association) meeting this spring at the University of Tennessee, Knoxville.

The Southeastern Theoretical Chemistry Association (SETCA) is a loose organization of theoretical and computational chemists from across the Southeastern United States. Since its inception in 1970 by Prof. Bruno Linder of Florida State University, its primary function has been an annual conference to give faculty, students, and postdoctoral associates an opportunity to present their most recent research results.

SETCA has a longstanding tradition of excellence in bringing together these communities to address the widespread challenges of computational chemists.

The meeting included a Scientific Programming Workshop, designed for undergraduate research students, conducted by MolSSI, two poster sessions, 12 invited speakers, and a dinner banquet with keynote speaker Weitao Yang.

Congratulations to the six SETCA 2019 Poster Winners!

  • The Quest for a Local Representation of Virtual Spaces for Embedded Wave Functions, Daniel Claudino, Virginia Tech
  • Computational Studies on Substrate Binding Motifs in Dissimilatory Sulfite Reductase, Alexa Griffith, Oak Ridge National Laboratory
  • Modeling of Structural Features in Lignin Based Composite Materials by Hierarchical Decomposition of the Radial Distribution Function, Dayton G. Kizzire, University of Tennessee
  • Approaches for Machine Learning of Ab Initio Intermolecular Properties, Derek P. Metcalf, Georgia Institute of Technology
  • Quantifying Protein Contact Networks through Residue-Residue Pair Interaction Energies, Thomas J. Summers, University of Memphis
  • Data-driven Acceleration of the Coupled-cluster Eigensolver, Jacob Townsend, University of Tennessee