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职业迁徙
个人简介
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.
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论文共 78 篇作者统计合作学者相似作者
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Journal of the American Chemical Societyno. 35 (2024): 19405-19420
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)
J. Chem. Inf. Model.no. 4 (2024): 1277-1289
Molly A. Richard,Sarah Elliott,Stephanie L. Hummel,Daelyn A. Woolnough,Lacey D. Rzodkiewicz,Stephanie P. Gill, Justin Rappold,Mandy L. Annis
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRYno. 5 (2024): 1112-1125
JOURNAL OF CHEMICAL INFORMATION AND MODELINGno. 4 (2024): 1277-1289
Journal of chemical information and modelingno. 4 (2024): 1277-1289
The journal of physical chemistry. Ano. 50 (2023): 10647-10662
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