Sarah Elliott

  • Program Year: 2
  • Academic Institution: University of Georgia
  • Field of Study: Theoretical Chemistry
  • Academic Advisor: Henry Schaefer
  • Practicum(s):
    Argonne National Laboratory (2017)
  • Degree(s):
    B.S. Chemistry, and B.A. Physics, Bethel University, 2015

Summary of Research

Quantum chemistry constructs mathematical models from the postulates of quantum mechanics to describe chemical structure and, thereby, the fundamental physical properties of molecules. By converging upon an exact solution, it provides insights into chemical phenomena that not only compliment but can supersede the capabilities of experiments. The current algorithms that quantum chemists prefer, however, are problematic – tensor methods have poor disk I/O, no BLAS or LAPACK libraries, and inadequate low-rank approximations and parallelization. While electronic structure methods like coupled cluster (CC) theories can yield sub-chemical accuracy, the polynomial scaling with system size makes such precision only possible for small systems. Only after addressing the current algorithmic challenges can we explore large systems like biological structures or fuel processes. My research interest is to harness the rapidly expanding parallelism of computer architectures to allow for more intensive inquiries. My current work is to modernize the CC equations by reordering the contributions between cluster amplitudes to accelerate their convergence.

Publications

JOURNAL PUBLICATIONS
Olson, A.P; Ertsgaard, C.T.; Elliott, S.N.; and Lindquist, N.C.; "Super-Resolution Chemical Imaging with Plasmonic Substrates". ACS Photonics 2016, 3 (3), 329-336. DOI: 10.1021/acsphotonics.5b00647

Elliott, S. N.; Turney, J. M.; and Schaefer, H. F. "The cis- and trans-Formylperoxy Radical: Fundamental Vibrational Frequencies and Relative Energies of the X 2A and A 2A States". RSC Adv. 2015, 5, 107254-107265. DOI: 10.1039/C5RA22177C


CONFERENCE PUBLICATIONS
Elliott, S.N; King, R.A.; "Atomistic Interpretations of Optical Activity." MAS 82nd Annual Meeting and 28th Winchell Undergraduate Research Symposium. St Paul, MN; April 25, 2015

Elliott, S.N; Lindquist, N.; "Imaging with Metallic Nanoholes.” MRSEC/CNFM Conference for Undergraduate Women in Physical Sciences Poster Session. Lincoln, NE; Nov. 10, 2014

Elliott, S.N; Turner, M.; Rich, I; Lindquist, N.; "Fabrication and Characterization of Template-Stripped Plasmonic Substrates for High-Resolution Chemical Imaging." CLEO 2014 Poster Session. San Jose, CA; Jun. 10, 2014

Elliott, S.N.; Turner, M.; Lindquist, N.C.; "Fabrication and Characterization of Nanometallic Substrates for High-Resolution Chemical Imaging." Sigma Zeta National Convention Poster Session. St Paul, MN; Mar. 29, 2014

Elliott, S.N.; Turner, M.; Lindquist, N.C.; "Fabrication and Characterization of Nanometallic Substrates for High-Resolution Chemical Imaging." 247th ACS National Meeting and Exposition Undergraduate Poster Session, Dallas, TX; Mar. 17, 2014

Awards

Graduate School Assistantship, University of Georgia, 2015
Charles A. Coulson Fellowship, University of Georgia Center for Computational Quantum Chemistry, 2015
Dean's List, Bethel University, 2011-2015
Lee I. Smith Award for Excellence in Chemistry, Minnesota Academy of Science 82nd Annual Meeting, 2015
ACS Award in Excellence, Minnesota Academy of Science 82nd Annual Meeting, 2015
Barbara Burton Memorial Scholarship, Bethel University Department of Chemistry, 2014
Ralph H. Anderson Engineering Scholarship, Bethel University Department of Physics, 2014
Best Poster Award, Conference for Undergraduate Woman in Physical Sciences, 2014
Stephen Nelson Memorial Scholarship, Bethel University Department of Physics, 2013
President's Scholarship, Bethel University, 2011