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Aryes Hall

SETCA 2019

Southeastern Theoretical Chemistry Association Meeting

May 16-18, 2019

The University of Tennessee, Knoxville

Poster Winners

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


  • Due to a campus-wide air-handling issue, you may find that the conference venues are slightly cooler than comfortable. For that reason, we recommend you bring an additional layer of clothing to SETCA 2019.
  • Poster session assignments are now available!
  • The deadline to submit abstracts for SETCA 2019 has passed. Thanks to all contributors!
  • As a result of overwhelming interest, the MolSSI workshop is full, and no new workshop registrations will be accepted.

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.

The theoretical and computational division of the Department of Chemistry at the University of Tennessee, Knoxville is excited to be hosting the 2019 meeting of this organization. SETCA has a longstanding tradition of excellence in bringing together these communities to address the widespread challenges of computational chemists, and we at UTK are looking forward to continuing this tradition.

NEW at SETCA 2019, we are proud to host a Scientific Programming Workshop, designed for undergraduate research students, conducted by MolSSI. This workshop will be held from May 15-16, 2019, immediately preceding SETCA 2019.

Also NEW at SECTA 2019, TWO poster sessions will showcase submitted work. The first, a "Pizza and Posters" session, will be held on Thursday, May 16 from 5-7pm, and the second will be held on Friday, May 17, just before the banquet. Accepted posters will be divided between the two sessions.

All professional events of the MolSSI workshop and SETCA 2019 will be held at Strong Hall, 1621 Cumberland Avenue, Knoxville, TN 37916, and the UTK Student Union, 1502 Cumberland Avenue, Knoxville, TN 37916.

Registration is now live! Registration will be accepted both online and on-site, for $90.

SETCA 2019 Organizers

Sharani Roy, Assistant Professor

Konstantinos Vogiatzis, Assistant Professor

R. J. Hinde, Professor, Vice Provost for Academic Affairs

Kayla Benson, Department of Chemistry Recruiting Coordinator

Website creator: Robert Chapleski, Postdoctoral Research Scholar, Roy group

The University of Tennessee, Knoxville

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