Erica Mitchell Email & Phone Number

Blacksburg, VA, US

Athens, Georgia, United States

Code development of explicitly correlated MP2 for the quantum chemistry packages Psi4 and Quax, automatic differentiation in Quax, and application projects involving simulation of vacuum UV spectra of small organic molecules.

Lecture and lab teaching assistant for Honors General Chemistry I

Athens, Georgia, United States

Lab teaching assistant for General Chemistry I and Honors General Chemistry I.

Density functional theory (DFT) study done in collaboration with experimentalists from multiple universities on the binding of warfarin with bovine serum albumin.

Maintenance of various lab instruments including, NMR, GCMS, LCMS, AAS, IR, and more.

Lab TA experience for multiple different sections, specifically General Organic and Biochemistry, General Chemistry, and Organic Chemistry. Grading experience for General Organic and Biochemistry labs and General Chemistry lectures.

Minneapolis, MN

Computational study of the Diels-Alder reaction using multiconfiguration pair-density functional theory (MC-PDFT). Also, helped analyze the computational efficiency of the OpenMolcas software and the mrh software which is linked to PySCF. Work done under the direction of Dr. Donald Truhlar and Dr. Laura Gagliardi. Research funded by NSF REU program.

Oxford, MS

Computational study of highly strained heterocyclic reactants using density functional theory (DFT) and coupled cluster (CC) techniques to analyze shallow minima on potential energy surfaces. Also, a conceptual DFT overview of different response functions as they relate to energy for benzvalyne to benzyne. Work done under the direction of Dr. Steven Davis..

Doctor Of Philosophy - Phd, Chemistry

Working with the Schaefer group at the Center for Computational Quantum Chemistry.

Bachelor Of Science - Bs, Chemistry

Activities and Societies: ACS Student Chapter, ASIA, Women of Chemistry, TU CrossFit