Judit Zádor

Theoretical Chemical Kinetics

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Theoretical Chemical Kinetics


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(925) 294-3603

Sandia National Laboratories, California
P.O. Box 969
Livermore, CA 94551-0969


Judit joined Sandia in 2007 and is currently a Distinguished Member of Staff. Her research lies in the broad field of theoretical reaction kinetics, and addresses problems in combustion, atmospheric chemistry, and heterogeneous catalysis. She works on automated kinetics calculations and leads the development of a related software packages.


Judit received her Chemistry Diploma in 2002 from the Eötvös University (Budapest, Hungary), spending the 2001/2002 academic year at the University of Leeds, UK. She earned a PhD in physical chemistry in 2006 also at Eötvös. After a year as a postdoc at the Chemical Research Centre of the Hungarian Academy of, she joined the Combustion Research Facility at Sandia as a postdoc in 2007, and became a permanent member of the Combustion Chemistry Department in 2010.


O. W. Adams Award for Outstanding Achievement in Combustion Science, Combustion Research Facility, Sandia National Laboratories2020
Distinguished Paper on Reaction Kinetics at the 35th International Combustion Symposium2014
Distinguished Mentorship Award of the Postdoctoral Professional Development Program of Sandia2014
Distinguished Paper on Reaction Kinetics at the 32nd International Combustion Symposium2008

Selected Publications

The complete list of her publications can be found on Google Scholar.

  1. Li, H., Lang, J., Foley, C. D., Zádor, J., Suits, A. G.: Sulfur (3P) reaction with conjugated dienes gives cyclization to thiophenes under single collision conditions. Journal of Physical Chemistry Letters, 2023. https://doi.org/10.1021/acs.jpclett.3c01953
  2. Johnson, M. S., Gierada, M., Hermes, E. D., Bross, D. H., Sargsyan, K., Najm, H. N., Zádor, J.: Pynta – An automated workflow for calculation of surface and gas-surface kinetics. Journal of Chemical Information and Modeling, 2023. https://doi.org/10.1021/acs.jcim.3c00948
  3. Martí, C., Michelsen, H. A., Najm, H. N., Zádor, J.: Comprehensive kinetics on the C7H7 potential energy surface under combustion conditions. Journal of Physical Chemistry A, part of the “Combustion in a Sustainable World: From Molecules to Processes” virtual special issue, 2023 127 1941–1959. https://doi.org/10.1021/acs.jpca.2c08035
  4. Zádor, J., Martí, C., Van de Vijver, R., Johansen, S. L., Yang, Y., Michelsen, H. A., Najm, H. N., Automated reaction kinetics of gas-phase organic molecules. Journal of Physical Chemistry A Feature Article, 2023 127 565–588. https://doi.org/10.1021/acs.jpca.2c06558 Front cover: https://pubs.acs.org/toc/jpcafh/127/5
  5. Hermes, E. D., Sagsyan, K., Najm, H. N., Zádor, J.: Sella, an open-source automation-friendly molecular saddle point optimizer. Journal of Chemical Theory and Computation, 2022 18 6974–6988. https://doi.org/10.1021/acs.jctc.2c00395
  6. Doner, A. C., Zádor, J., Rotavera, B.: Stereoisomer-dependent unimolecular kinetics of 2,4-dimethyloxetane peroxy radicals. Faraday Discussions, 2022 238 295-319. https://doi.org/10.1039/D2FD00029F