基本信息
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Bio
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.
Research Interests
Papers共 72 篇Author StatisticsCo-AuthorSimilar Experts
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期刊级别
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合作机构
Sarah N. Elliott, Kevin B. Moore III,Clayton R. Mulvihill,Andreas V. Copan,Luna Pratali Maffei,Stephen J. Klippenstein
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCEno. 2 (2024)
Proceedings of the Combustion Instituteno. 1-4 (2024): 105618
Journal of chemical information and modelingno. 4 (2024): 1277-1289
The journal of physical chemistry. Ano. 50 (2023): 10647-10662
Journal of the American Chemical Societyno. 35 (2023): 19405-19420
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Author Statistics
#Papers: 70
#Citation: 976
H-Index: 20
G-Index: 29
Sociability: 5
Diversity: 3
Activity: 43
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