Judit Zádor

Judit Zádor, Principal Member of Technical Staff, Combustion Chemistry Department

Education

  • Chemistry Diploma, Eötvös University, Budapest, Hungary, 2002
  • PhD in Physical Chemistry, Eötvös University, Budapest, Hungary, 2006

Research Experience

  • Erasmus Student, University of Leeds, Leeds, UK, 2001-2002
  • Postdoctoral researcher, Chemical Research Centre of the Hungarian Academy of Sciences, Budapest, Hungary, 2006-2007
  • Postdoctoral researcher, Sandia National Laboratories, Combustion Research Facility, Livermore, CA, USA, 2007-2010
  • Senior Member of the Technical Staff, Sandia National Laboratories, Combustion Research Facility, Livermore, CA, USA, 2010-2013
  • Principal Member of the Technical Staff, Sandia National Laboratories, Combustion Research Facility, Livermore, CA, USA, 2013-

Roles

Research Interests

  • Theoretical reaction kinetics
  • Combustion chemistry
  • Atmospheric chemistry
  • Uncertainty analysis
  • Automatic reaction pathway search
  • Catalysis
  • High-performance computing
  • Machine learning

Awards

  • Distinguished Paper on Reaction Kinetics at the 32nd and 35th International Symposium on Combustion (2009 and 2014)

Publications

Google Scholar 

2018

  • Caravan, R. L., Khan, M. A. H., Zádor, J., Sheps, L., Antonov, I. O., Rotavera, B., Ramasesha, K., Au, K., Chen, M.-W., Rösch, D., Osborn, D. L., Percival, C. J., Shallcross, D. E., Taatjes, C. A.: The reaction of OH with CH3OO is not a major source of atmospheric methanol. Nature Communications, 2018 9 4343.
  • Van de Vijver, R., Van Geem, K. M., Marin, G. B., Zádor, J.: Decomposition and isomerization of 1-pentanol radicals and the pyrolysis of 1-pentanol. Combustion and Flame, 2018 196 500-514.
  • Covert, K., Voronova, K., Torma, K. G., Bodi, A., Zádor, J., Sztáray, B.: Photoionization of methyl hydroperoxide: Thermochemistry of the smallest QOOH radical and the detection of a roaming fragmentation channel. Physical Chemistry Chemical Physics, 2018 20 21085-21094.
  • Chen, M.-W., Rotavera, B., Chao, W., Lin, J. J.-M., Zádor, J., Taatjes, C. A.: Direct measurement of OH and HO2 formation in R + O2 reactions of cyclohexane and tetrahydropyran: Influence of radical ring-opening in oxidation of cyclic oxygenated hydrocarbons. Physical Chemistry Chemical Physics, 2018 20 10815-10825.
  • Grambow, C. A., Jamal, A., Li, Y.-P., Green, W. H., Zádor, J., Suleimanov, Y. V.: New unimolecular reaction pathways of a g-ketohydroperoxide from combined application of automated reaction discovery methods. Journal of the American Chemical Society, 2018 140 1035-1048.

2017

  • Johansson, K. O., Campbell, M. F., Elvati, P., Schrader, P. E., Zádor, J., Richards-Henderson, N. K., Wilson, K. R., Violi, A., Michelsen, H. A.: Photoionization efficiencies of five polycyclic aromatic hydrocarbons. Journal of Physical Chemistry A, 2017 121 4447-4454.
  • Johansson, K. O., Zádor, J., Elvati, P., Campbell, M. F., Schrader, P. E., Richards-Henderson, N. K., Wilson, K. R., Violi, A., Michelsen, H. A.: Critical assessment of photoionization efficiency measurements for characterization of soot-precursor species. Journal of Physical Chemistry A, 2017 121 4475-4485.
  • Zádor, J., Madison D. Fellows, Miller, J. A.: Initiation reactions in acetylene pyrolysis. 2017 121 4203-4217.
  • Rotavera, B., Savee, J. D., Antonov, I. O., Caravan, R. L., Sheps, L., Osborn, D. L., Zádor, J., Taatjes, C. A.: Influence of oxygenation in cyclic hydrocarbons on chain-termination reactions from R + O2: tetrahydropyran and cyclohexane. Proceedings of the Combustion Institute, 2017 36 597-606.
  • Al Rashidi, M. J., Thion, S., Togbé, C., Dayma, G., Mehl, M., Dagaut, P., Pitz, W. J., Zádor, J., Sarathy, S. M.: Elucidating reactivity regimes in cyclopentane oxidation: Jet stirred reactor experiments, computational chemistry, and kinetic modeling. Proceedings of the Combustion Institute, 2017 36 469-477.
  • Li, X., Jasper, A. W., Zádor, J., Miller, J. A., Klippenstein, S. J.: Theoretical kinetics of O + C2H4. Proceedings of the Combustion Institute, 2017 36 219-227.

2016

  • Antonov, I. O., Zádor, J., Rotavera, B., Papajak, E., Osborn, D. L., Taatjes, C. A., Sheps, L.: Pressure-Dependent Competition among Reaction Pathways from First- and Second-O2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran. Journal of Physical Chemistry A 2016, 120 6582-6595.
  • Miller, J. A., Klippenstein, S. J., Robertson, S. H., Pilling, M. J., Shannon, R., Zádor, J., Jasper, A. W., Goldsmith, C. F., Burke, M. P.: “Comment on “When rate constants are not enough” by John R. Barker, Michael Frenklach, and David M. Golden”. Journal of Physical Chemistry A, 2016 120 306-312.

2015

  • Antonov, I. O., Kwok, J., Zádor, J., Sheps, L.: OH + 2-butene: A combined experimental and theoretical study in the 300-800 K temperature range. Journal of Physical Chemistry A, 2015 119 7742-7752.
  • Burke, M. P., Goldsmith, C. F., Klippenstein, S. J., Welz, O., Huang, H., Antonov, I. O., Savee, J. D., Osborn, D. L., Zádor, J., Taatjes, C. A., Sheps, L.: Multi-scale informatics for low-temperature propane oxidation: Further complexities in studies of complex reactions. Journal of Physical Chemistry A, 2015 119 7095-7115.
  • Savee, J. D., Zádor, J., Hemberger, P., Sztaray, B., Bodi, A., Osborn, D. L.: Threshold photoelectron spectrum of the benzyl radical. Molecular Physics, 2015 113 2217-2227.
  • Savee, J. D., Papajak, E., Rotavera, B., Huang, H., Eskola, A. J., Welz, O., Sheps, L., Taatjes, C. A., Zádor, J., Osborn, D. L.: Direct observation and kinetics of a critical reactive intermediate in hydrocarbon oxidation Science, 2015 347 643-646.
  • Zádor, J., Miller, J.A.: Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions. Proceedings of the Combustion Institute, 2015 35 181-188.
  • Eskola, A.J., Welz, O., Zádor, J., Antonov, I.O., Sheps, L., Savee, J.D., Osborn, D.L., Taatjes, C.A.: Probing the low-temperature chain-branching mechanism for n-butane autoignition chemistry via time-resolved measurements of ketohydroperoxide formation in photolytically initiated n-C4H10 oxidation. Proceedings of the Combustion Institute, 2015 35 291-298.

2014

  • Rotavera, B., Zádor, J., Welz, O., Sheps, L., Scheer, A.M., Savee, J.D., Ali, M.A., Lee, T.S., Simmons, B.A., Osborn, D.L., Violi, A., Taatjes, C.A.: Photoionization mass spectrometric measurements of initial reaction pathways in low-temperature oxidation of 2,5-dimethylhexane. Journal of Physical Chemistry A, 2014 44 10188-10200.
  • Scheer, A.M., Welz, O., Zádor, J., Osborn, D.L., Taatjes, C.A.: Low-temperature combustion chemistry of novel biofuels: Resonance-stabilized QOOH in the oxidation of diethyl ketone. Physical Chemistry Chemical Physics, 2014 16 13027-13040.
  • Sai, N., Leung, K., Zádor, J., Graeme, H.: First principles study of photo-oxidation degradation mechanisms in P3HT for organic solar cells. Physical Chemistry Chemical Physics, 2014 16 8092-8099.

2013

  • Zádor, J., Huang, H., Welz, O., Zetterberg, J., Osborn, D.L., Taatjes, C.A.: Directly measuring reaction kinetics of QOOH – a crucial but elusive intermediate in hydrocarbon autoignition. Physical Chemistry Chemical Physics, 2013 15 10753-10760.
  • Welz, O., Klippenstein, S.J., Harding, L.B., Taatjes, C.A., Zádor, J.: Unconventional peroxy chemistry in alcohol oxidation: The water elimination pathway. Journal of Physical Chemistry Letters, 2013 4 350-354.
  • Zádor, J., Miller, J.A.: Unimolecular dissociation of hydroxypropyl and propoxy radicals. Proceedings of the Combustion Institute, 2013 34, 519-526.
  • Prager, J., Najm, N.H., Zádor, J.: Uncertainty quantification in the ab initio rate-coefficient calculation for the CH3CH(OH)CH3 + OH → CH3C(OH)CH3 + H2O reaction. Proceedings of the Combustion Institute, 2013 34, 583-590.

2012

  • Welz, O., Zádor, J., Savee, J.D., Ng, M.Y., Meloni, G., Fernandes, R.X., Sheps, L., Simmons, B.A., Lee, T.S., Osborn, D.L., Taatjes, C.A.: Low-temperature combustion chemistry of biofuels: Pathways in the initial low-temperature (550 K – 750 K) oxidation chemistry of isopentanol. Physical Chemistry Chemical Physics, 2012 14 3112-3127.

2011

  • Kappler, C., Zádor, J., Welz, O., Fernandes, R.X., Olzmann, M., Taatjes, C.A.: Competing channels in the propene + OH reaction: Experiment and validated modeling over a broad temperature and pressure range. Zeitschrift für Physicalische Chemie, 2011 225 1271-1293.
  • Zádor, J., Klippenstein, S.J., Miller, J.A.: Pressure dependent OH yields in alkene + HO2 reactions: A theoretical study. Journal of Physical Chemistry A, 2011 115 10218–10225.
  • Zádor, J., Taatjes, C.A., and Fernandes, R.X.: Kinetics of elementary reactions in low-temperature autoignition chemistry. Progress in Energy and Combustion Science, 2011 37 371-421.
  • Huang, H., Merthe, D.J., Zádor, J., Jusinski, L.E., and Taatjes C.A.: New experiments and validated master-equation modeling for OH production in propyl + O2 reactions. Proceedings of the Combustion Institute, 2011 33 293-299.

2010

  • Vasu, S.S., Zádor, J., Davidson, D.F., Hanson, R.K., Golden, D.M., Miller, J.A.: High-temperature measurements and a theoretical study of the reaction of OH with 1,3-butadiene. Journal of Physical Chemistry A, 2010 114 8312-8318.
  • Zügner, G.L., Szilágyi, I., Zádor, J., Szabó, E., Dóbé, S., Song, X., Wang, B.: OH yields for C2H5CO + O2 from 1.4–13.3 mbar experiments and theory. Chemical Physics Letter, 2010 495 179-181.

2009

  • Zádor, J., Jasper, A.W., and Miller, J.A.: The reaction between propene and hydroxyl. Physical Chemistry Chemical Physics, 2009 11 11040–11053.
  • Fernandes, R.X., Zádor, J., Jusinski, L.E., Taatjes, C.A., and Miller, J.A.: Formally direct pathways and low-temperature chain branching in hydrocarbon autoignition: The cyclohexyl + O2 reaction at high pressure. Physical Chemistry Chemical Physics, 2009 11 1320-1327.
  • Ismail, H., Abel, P.R., Green Jr., W.H., Fahr, A., Jusinski, L.E., Knepp, A.M., Zádor, J., Meloni, G., Selby, T.M., Osborn, D.L., and Taatjes, C.A.: Temperature-dependent kinetics of the vinyl radical (C2H3) self-reaction. Journal of Physical Chemistry A, 2009 113 1278-1286.
  • Zádor, J., Fernandes, R.X., Georgievskii, Y., Meloni, G., Taatjes, C.A., and Miller, J.A.: The reaction of hydroxyethyl radicals with O2: A theoretical analysis and experimental product study. Proceedings of the Combustion Institute, 2009 32 271-277.

2008

  • Zügner, G.L., Szilágyi, I., Nádasdi, R., Dóbé, S., Zádor, J., and Márta, F.: Rate constants for the reaction of bromine atoms with ethane: Kinetic and thermochemical implications. Reaction Kinetics and Catalysis Letters, 2008 95 355-363.
  • Zsély, I.G., Zádor, J., and Turányi, T.: Uncertainty analysis of NO production during methane combustion. International Journal of Chemical Kinetics, 2008 40 754-768.
  • Lovrics, A., Zsély, I.G., Csikász-Nagy, A., Zádor, J., Turányi, T., and Novák, B.: Analysis of a budding yeast cell cycle model using the shapes of local sensitivity functions. International Journal of Chemical Kinetics, 2008 40 710-720.

2007

  • Kovács, G., Zádor, J., Farkas, E., Nádasdi, R., Szilágyi, I., Dóbé, S., Bérces, T., Márta, F., and Lendvay, G.: Kinetics and mechanism of the reactions of CH3CO and CH3C(O)CH2 radicals with O2. Low-pressure discharge flow experiments and quantum chemical computations. Physical Chemistry Chemical Physics, 2007 9 4142-4154.

2006

  • Lovrics, A., Csikász-Nagy, A., Zsély, I.G., Zádor, J., Turányi, T., and Novák, B.: Time scale and dimension analysis of a budding yeast cell cycle model. Bmc Bioinformatics, 2006 7 AN494.
  • Zádor, J., Turányi, T., Wirtz, K., and Pilling, M.J.: Measurement and investigation of chamber radical sources in the European Photoreactor (EUPHORE). Journal of Atmospheric Chemistry, 2006 55 147-166.
  • Zádor, J., Zsély, I.G., and Turányi, T.: Local and global uncertainty analysis of complex chemical kinetic systems. Reliability Engineering & System Safety, 2006 91 1232-1240.

2005

  • Zádor, J., Wagner, V., Wirtz, K., and Pilling, M.J.: Quantitative assessment of uncertainties for a model of tropospheric ethene oxidation using the European Photoreactor (EUPHORE). Atmospheric Environment, 2005 39 2805-2817.
  • Zádor, J., Zsély, I.G., Turányi, T., Ratto, M., Tarantola, S., and Saltelli, A.: Local and global uncertainty analyses of a methane flame model. Journal of Physical Chemistry A, 2005 109 9795-9807.
  • Zsély, I.G., Zádor, J., and Turányi, T.: On the similarity of the sensitivity functions of methane combustion models. Combustion Theory and Modelling, 2005 9 721-738.

2004

  • Zsély, I.G., Zádor, J., and Turányi, T.: Uncertainty analysis of updated hydrogen and carbon monoxide oxidation mechanisms. Proceedings of the Combustion Institute, 2004 30 1273-1281.
  • Sommariva, R., Haggerstone, A.L., Carpenter, L.J., Carslaw, N., Creasey, D.J., Heard, D.E., Lee, J.D., Lewis, A.C., Pilling, M.J., and Zádor, J.: OH and HO2 chemistry in clean marine air during SOAPEX-2. Atmospheric Chemistry and Physics, 2004 4 839-856.
  • Zádor, J., Zsély, I.G., and Turányi, T.: Investigation of the correlation of sensitivity vectors of hydrogen combustion models. International Journal of Chemical Kinetics, 2004 36 238-252.

2003

  • Zsély, I.G., Zádor, J., and Turányi, T.: Similarity of sensitivity functions of reaction kinetic models. Journal of Physical Chemistry A, 2003 107 2216-2238.

Contact

Sandia National Laboratories
CaliforniaP.O. Box 969
Livermore
CA 94551-0969
Phone: 925- 294-3603
E-mail: jzador@sandia.gov