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Fifth Year Graduate Student

Hometown: Newberg, Oregon

B.S. in Biochemistry
George Fox University

Ph.D. in Chemistry
University of Georgia


Research Interests

My research centers around the use of ab initio methods to describe the formation and depletion of transient species in the atmosphere. Specifically, I am interested in the interplay of open-shell gas-phase species with each other and with photochemical smog constituents. This class of reactions plays an integral role in ambient concentrations of tropospheric ozone and helps to explain detection of long-lived organics in the atmosphere. Additionally, I am working to implement the canonical transcorrelated theory of Yanai and Shiozaki into the PSI4 open source quantum chemistry program package. This method holds promise as an alternative to more widely-known explicit correlation methods, such as F12-R12 theory, the key difference being its inclusion of explicit correlation in the Hamiltonian operator itself. I would like to expand the current volume of literature on the consequences and applications of canonical transcorrelated theory, potentially by applying it to small gas-phase species such as those discussed above. I would also like to explore how conical intersections and other nonadiabatic processes influence chemical reactions and dynamics; these processes are especially prevalent in the photochemistry of the atmosphere.

  1. "Ethylperoxy Radical: Approaching Spectroscopic Accuracy via Coupled-Cluster Theory"
    Launder, A. M.; Turney, J. M.; Agarwal, J.; Schaefer, H. F.* Phys. Chem. Chem. Phys. (accepted).
  2. "Prediction and Characterization of Alkaline-Earth (M=Be, Mg, Ca, Sr, and Ba) Metallacyclopentadienes and Relevant Derivatives"
    Sun, Z.; Launder, A. M.; and Schaefer, H. F.* ChemistrySelect 2017, 2, 1442
  3. "Exploring Mechanisms of a Tropospheric Archetype: CH3O2 + NO"
    Launder, A. M.; Agarwal, J.; and Schaefer, H. F.* J. Chem. Phys. 2015, 143, 234302