Large-Scale Automated Mechanism Modeling
Sarah N Elliott
Post Doctoral Appointee
Argonne National Lab, CSE
Dr. Elliott has been a part of the AutoMech team since 2017, having had the opportunity to practicum at Argonne while a graduate student through the DOE CSGF. She is interested in bridging together quantum chemistry, stastistical thermochemistry, and transition state theory, to characterize atmospheric and combustion systems. Doing so on a large-scale, by developing automated workflow tools, allows for a better understanding of their processes and how to improve efficiency. She has been developing large databases of thermodynamic and kinetic parameters, upon which she is exploring the use of machine learning methods and cheminformatics to heighten the reliability of the modeling data. She also endeavors to present these results in a meaningful way -- with quantified uncertainties and made highly available (for example by building this website).
Biography
Postdoctoral appointee, Argonne National Laboratory (2020 - present)
Graduate researcher, University of Georgia (2015 - 2020)
Summer undergraduate researcher, University of Georgia (2013 & 2014)
Undergraduate researcher, Bethel University (2013 - 2015)
Education
Ph.D. in Chemistry, University of Georgia, 2020
B.S. in Chemistry, B.A. in Physics, Bethel University, 2015
AutoMech contributions
Click the links above for GitHub insights
- Website Developer
- Database Initiative
Links
Get to know our developer
Sarah leans fully into the jack-of-all trades, master of none mentality for her outdoor hobbies. Currently her interests are sailing, climbing, backpacking/camping, cross-county skiing, kayaking, hiking, and soccer. She enjoys pawning her spider plant pups off on colleagues and is an avid social deduction game enthusiast.
©2022, Sarah N Elliott |