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Employment (4)

Sandia National Laboratories: Livermore, CA, US

2014-01 to present | Principal Member of Technical Staff (Combustion Chemistry Department)
Employment
Source: Self-asserted source
Judit Zádor

Sandia National Laboratories: Livermore, CA, US

2010-05 to 2013-12 | Senior Member of the Technical Staff (Combustion Chemistry Department)
Employment
Source: Self-asserted source
Judit Zádor

Sandia National Laboratories : Livermore, CA, US

2007-03 to 2010-05 | Postdoctoral Associate (Combustion Chemistry Department)
Employment
Source: Self-asserted source
Judit Zádor

HAS Chemical Research Center: Budapest, HU

2006-03 to 2007-03 | Postdoctoral Associate (Department of Reaction Kinetics)
Employment
Source: Self-asserted source
Judit Zádor

Education and qualifications (3)

Eotvos Lorand Tudomanyegyetem Természettudományi Kar: Budapest, HU

2002-09 to 2006-03 | PhD Student (Institute of Chemistry)
Education
Source: Self-asserted source
Judit Zádor

University of Leeds School of Chemistry: Leeds, Leeds, GB

2001-09 to 2002-05 | Erasmus Student
Education
Source: Self-asserted source
Judit Zádor

Eotvos Lorand Tudomanyegyetem Természettudományi Kar: Budapest, HU

1997-09 to 2002-05 | Diploma Student (Institute of Chemistry)
Education
Source: Self-asserted source
Judit Zádor

Works (50 of 108)

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Page 1 of 3

Identification of Dihydropentalenes as Products of the Molecular-Weight Growth Reaction of Cyclopentadienyl Plus Propargyl

The Journal of Physical Chemistry A
2025-02-13 | Journal article
Contributors: Nils Hansen; Nina Gaiser; Thomas Bierkandt; Patrick Oßwald; Markus Köhler; Judit Zádor; Patrick Hemberger
Source: check_circle
Crossref

Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows

The Journal of Physical Chemistry C
2025-02-07 | Journal article
Contributors: Matthew S. Johnson; David H. Bross; Judit Zádor
Source: check_circle
Crossref

Force training neural network potential energy surface models

International Journal of Chemical Kinetics
2025-01 | Journal article
Contributors: Christian Devereux; Yoona Yang; Carles Martí; Judit Zádor; Michael S. Eldred; Habib N. Najm
Source: check_circle
Crossref

Reaction dynamics of S(3P) with 1,3-butadiene and isoprene: crossed-beam scattering, low-temperature flow experiments, and high-level electronic structure calculations

Faraday Discussions
2024 | Journal article
Contributors: Jinxin Lang; Casey D. Foley; Shameemah Thawoos; Abbas Behzadfar; Yanan Liu; Judit Zádor; Arthur G. Suits
Source: check_circle
Crossref

Theoretical analysis of the OH-initiated atmospheric oxidation reactions of imidazole

Physical Chemistry Chemical Physics
2024 | Journal article
Contributors: Thomas Golin Almeida; Carles Martí; Theo Kurtén; Judit Zádor; Sommer L. Johansen
Source: check_circle
Crossref

Analytical ab initio hessian from a deep learning potential for transition state optimization

Nature Communications
2024-10-14 | Journal article
Contributors: Eric C.-Y. Yuan; Anup Kumar; Xingyi Guan; Eric D. Hermes; Andrew S. Rosen; Judit Zádor; Teresa Head-Gordon; Samuel M. Blau
Source: check_circle
Crossref

Diffusion-Limited Kinetics in Reactive Systems

The Journal of Physical Chemistry A
2024-05-09 | Journal article
Contributors: Matthew S. Johnson; Joy N. Mueller; Craig Daniels; Habib N. Najm; Judit Zádor
Source: check_circle
Crossref

The photoionization of methoxymethanol: Fingerprinting a reactive C2 oxygenate in a complex reactive mixture

The Journal of Chemical Physics
2024-03-28 | Journal article
Contributors: Niko A. Hansen; Trevor D. Price; Leah R. Filardi; Sadi M. Gurses; Wenqi Zhou; Nils Hansen; David L. Osborn; Judit Zádor; Coleman X. Kronawitter
Source: check_circle
Crossref

Evaluation of Rate Coefficients in the Gas Phase Using Machine-Learned Potentials

The Journal of Physical Chemistry A
2024-03-14 | Journal article
Contributors: Carles Martí; Christian Devereux; Habib N. Najm; Judit Zádor
Source: check_circle
Crossref

TChem: A performance portable parallel software toolkit for complex kinetic mechanisms

Computer Physics Communications
2023 | Journal article
Contributors: Kim, Kyungjoo; Diaz-Ibarra, Oscar H.; Najm, Habib N.; Zador, Judit; Safta, Cosmin
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Production of Aliphatic-Linked Polycyclic Hydrocarbons during Radical-Driven Particle Formation from Propyne and Propene Pyrolysis

Combustion and Flame
2023-12 | Journal article
Contributors: James A. Rundel; K. Olof Johansson; Paul E. Schrader; Ray P. Bambha; Kevin R. Wilson; Judit Zádor; G. Barney Ellison; Hope A. Michelsen
Source: check_circle
Crossref

Sulfur (3P) Reaction with Conjugated Dienes Gives Cyclization to Thiophenes under Single Collision Conditions

The Journal of Physical Chemistry Letters
2023-08-31 | Journal article
Contributors: Hongwei Li; Jinxin Lang; Casey D. Foley; Judit Zádor; Arthur G. Suits
Source: check_circle
Crossref

Pynta─An Automated Workflow for Calculation of Surface and Gas–Surface Kinetics

Journal of Chemical Information and Modeling
2023-08-28 | Journal article
Contributors: Matthew S. Johnson; Maciej Gierada; Eric D. Hermes; David H. Bross; Khachik Sargsyan; Habib N. Najm; Judit Zádor
Source: check_circle
Crossref
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Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces

Journal of Chemical Information and Modeling
2023-04-24 | Journal article
Contributors: Yoona Yang; Michael S. Eldred; Judit Zádor; Habib N. Najm
Source: check_circle
Crossref

The Identity and Chemistry of C7H7 Radicals Observed during Soot Formation

The Journal of Physical Chemistry A
2023-04-06 | Journal article
Contributors: James A. Rundel; Carles Martí; Judit Zádor; Paul E. Schrader; K. Olof Johansson; Ray P. Bambha; Grant T. Buckingham; Jessica P. Porterfield; Oleg Kostko; Hope A. Michelsen
Source: check_circle
Crossref

Unimolecular Reactions of 2,4-Dimethyloxetanyl Radicals

The Journal of Physical Chemistry A
2023-03-23 | Journal article
Contributors: Anna C. Doner; Judit Zádor; Brandon Rotavera
Source: check_circle
Crossref

Multifidelity neural network formulations for prediction of reactive molecular potential energy surfaces

2023-03-13 | Preprint
Contributors: Yoona Yang; Michael S. Eldred; Judit Zádor; Habib N. Najm
Source: check_circle
Crossref

Comprehensive Kinetics on the C7H7 Potential Energy Surface under Combustion Conditions

The Journal of Physical Chemistry A
2023-03-02 | Journal article
Contributors: Carles Martí; Hope A. Michelsen; Habib N. Najm; Judit Zádor
Source: check_circle
Crossref

Automated Reaction Kinetics of Gas-Phase Organic Species over Multiwell Potential Energy Surfaces

The Journal of Physical Chemistry A
2023-01-26 | Journal article
Contributors: Judit Zádor; Carles Martí; Ruben Van de Vijver; Sommer L. Johansen; Yoona Yang; Hope A. Michelsen; Habib N. Najm
Source: check_circle
Crossref

A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy

Physical Chemistry Chemical Physics
2022 | Journal article
Contributors: Jesse J. Lutz; Jason N. Byrd; Victor F. Lotrich; Daniel S. Jensen; Judit Zádor; Joshua A. Hubbard
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Crossref
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Formation of Organic Acids and Carbonyl Compounds in <i>n</i>-Butane Oxidation via γ-Ketohydroperoxide Decomposition

Angewandte Chemie International Edition
2022 | Journal article
Contributors: Popolan-Vaida, Denisia M.; Eskola, Arkke J.; Rotavera, Brandon; Lockyear, Jessica F.; Wang, Zhandong; Sarathy, S. Mani; Caravan, Rebecca L.; Zador, Judit; Sheps, Leonid; Lucassen, Arnas et al.
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In Memoriam: Jim Miller (1946-2021)

Combustion and Flame
2022 | Journal article
Contributors: Zador, Judit; Hansen, Nils; Glarborg, Peter; Klippenstein, Stephen J.
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Stereoisomer-dependent unimolecular kinetics of 2,4-dimethyloxetanyl peroxy radicals

Faraday Discussions
2022 | Journal article
Contributors: Anna C. Doner; Judit Zádor; Brandon Rotavera
Source: check_circle
Crossref
grade
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Unimolecular isomerisation of 1,5-hexadiyne observed by threshold photoelectron photoion coincidence spectroscopy

Faraday Discussions
2022 | Journal article
Contributors: John D. Savee; Bálint Sztáray; Patrick Hemberger; Judit Zádor; Andras Bodi; David L. Osborn
Source: check_circle
Crossref
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Using computational singular perturbation as a diagnostic tool in ODE and DAE systems: a case study in heterogeneous catalysis

Combustion Theory and Modelling
2022 | Journal article
Contributors: Diaz-Ibarra, Oscar; Kim, Kyungjoo; Safta, Cosmin; Zador, Judit; Najm, Habib N.
Source: check_circle
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Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer

Journal of Chemical Theory and Computation
2022-11-08 | Journal article
Contributors: Eric D. Hermes; Khachik Sargsyan; Habib N. Najm; Judit Zádor
Source: check_circle
Crossref

Combustion chemistry in the twenty-first century: Developing theory-informed chemical kinetics models

Progress in Energy and Combustion Science
2021 | Journal article
Contributors: Miller, James A.; Sivaramakrishnan, Raghu; Tao, Yujie; Goldsmith, C. Franklin; Burke, Michael P.; Jasper, Ahren W.; Hansen, Nils; Labbe, Nicole J.; Glarborg, Peter; Zador, Judit
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Quantitative Detection of Products and Radical Intermediates in Low-Temperature Oxidation of Cyclopentane

The Journal of Physical Chemistry A
2021 | Journal article
Contributors: Sheps, Leonid; Dewyer, Amanda L.; Demireva, Maria; Zador, Judit
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A New Pathway for Intersystem Crossing: Unexpected Products in the O(3P) + Cyclopentene Reaction

The Journal of Physical Chemistry A
2021-11-18 | Journal article
Contributors: Krupa Ramasesha; John D. Savee; Judit Zádor; David L. Osborn
Source: check_circle
Crossref
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Geometry optimization speedup through a geodesic approach to internal coordinates

The Journal of Chemical Physics
2021-09-07 | Journal article
Contributors: Eric D. Hermes; Khachik Sargsyan; Habib N. Najm; Judit Zádor
Source: check_circle
Crossref
grade
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Geometry Optimization Speedup Through a Geodesic Approach to Internal Coordinates

2021-06-11 | Other
Contributors: Eric Hermes; Khachik Sargsyan; Habib Najm; Judit Zádor
Source: check_circle
Crossref

Geometry Optimization Speedup Through a Geodesic Approach to Internal Coordinates

2021-06-11 | Other
Contributors: Eric Hermes; Khachik Sargsyan; Habib Najm; Judit Zádor
Source: check_circle
Crossref

Geometry Optimization Speedup Through a Geodesic Approach to Internal Coordinate Optimization

2021-05-27 | Other
Contributors: Eric Hermes; Khachik Sargsyan; Habib Najm; Judit Zádor
Source: check_circle
Crossref

KinBot: Automated stationary point search on potential energy surfaces

Computer Physics Communications
2020 | Journal article
Contributors: Van de Vijver, Ruben; Zador, Judit
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Simulated production of OH, HO2, CH2O, and CO2 during dilute fuel oxidation can predict 1st-stage ignition delays

Combustion and Flame
2020 | Journal article
Contributors: Buras, Zachary J.; Safta, Cosmin; Zador, Judit; Sheps, Leonid
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Combinatorial reaction searches on the PES using KinBot

Abstracts of Papers of the American Chemical Society
2019 | Journal article
Contributors: Van de Vijver, Ruben; Zador, Judit; Marin, Guy; Van Geem, Kevin
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Accelerated Saddle Point Refinement through Full Exploitation of Partial Hessian Diagonalization

Journal of Chemical Theory and Computation
2019-11-12 | Journal article
Contributors: Eric D. Hermes; Khachik Sargsyan; Habib N. Najm; Judit Zádor
Source: check_circle
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Accelerated Saddle Point Refinement Through Full Exploitation of Partial Hessian Diagonalization

2019-08-30 | Other
Contributors: Eric Hermes; Khachik Sargsyan; Habib Najm; Judit Zádor
Source: check_circle
Crossref

Accelerated Saddle Point Refinement Through Full Exploitation of Partial Hessian Diagonalization

2019-08-30 | Other
Contributors: Eric Hermes; Khachik Sargsyan; Habib Najm; Judit Zádor
Source: check_circle
Crossref

Comment on “Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals”

The Journal of Physical Chemistry A
2019-02-07 | Journal article
Contributors: Judit Zádor; James A. Miller
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Direct measurement of ˙OH and HO2˙ formation in ˙R + O2 reactions of cyclohexane and tetrahydropyran

Physical Chemistry Chemical Physics
2018 | Journal article
Contributors: Ming-Wei Chen; Brandon Rotavera; Wen Chao; Judit Zádor; Craig A. Taatjes
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Crossref
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Discovering unimolecular reaction pathways using an ensemble of automated reaction discovery methods

Abstracts of Papers of the American Chemical Society
2018 | Journal article
Contributors: Grambow, Colin; Jamal, Adeel; Li, Yi-Pei; Green, William; Zador, Judit; Suleimanov, Yury
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The reaction of hydroxyl and methylperoxy radicals is not a major source of atmospheric methanol

Nature Communications
2018 | Journal article
Contributors: Caravan, Rebecca L.; Khan, M. Anwar H.; Zador, Judit; Sheps, Leonid; Antonov, Ivan O.; Rotavera, Brandon; Ramasesha, Krupa; Au, Kendrew; Chen, Ming-Wei; Rosch, Daniel et al.
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Thermochemistry of the smallest QOOH radical from the roaming fragmentation of energy selected methyl hydroperoxide ions

Physical Chemistry Chemical Physics
2018 | Journal article
Contributors: Kyle J. Covert; Krisztina Voronova; Krisztián G. Torma; Andras Bodi; Judit Zádor; Bálint Sztáray
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Decomposition and isomerization of 1-pentanol radicals and the pyrolysis of 1-pentanol

Combustion and Flame
2018-10 | Journal article
Contributors: Ruben Van de Vijver; Kevin M. Van Geem; Guy B. Marin; Judit Zádor
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Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods

Journal of the American Chemical Society
2018-01-24 | Journal article
Contributors: Colin A. Grambow; Adeel Jamal; Yi-Pei Li; William H. Green; Judit Zádor; Yury V. Suleimanov
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Elucidating reactivity regimes in cyclopentane oxidation: Jet stirred reactor experiments, computational chemistry, and kinetic modeling

Proceedings of the Combustion Institute
2017 | Journal article
EID:

2-s2.0-85006456217

Contributors: Al Rashidi, M.J.; Thion, S.; Togbé, C.; Dayma, G.; Mehl, M.; Dagaut, P.; Pitz, W.J.; Zádor, J.; Sarathy, S.M.
Source: Self-asserted source
Judit Zádor via Scopus - Elsevier
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Influence of oxygenation in cyclic hydrocarbons on chain-termination reactions from R + O<inf>2</inf>: Tetrahydropyran and cyclohexane

Proceedings of the Combustion Institute
2017 | Journal article
EID:

2-s2.0-85006340181

Contributors: Rotavera, B.; Savee, J.D.; Antonov, I.O.; Caravan, R.L.; Sheps, L.; Osborn, D.L.; Zádor, J.; Taatjes, C.A.
Source: Self-asserted source
Judit Zádor via Scopus - Elsevier
grade
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Pentanol: A promissing fuel and petrochemical building block

Fuels and Petrochemicals Division 2017 - Core Programming Area at the 2017 AIChE Spring Meeting and 13th Global Congress on Process Safety
2017 | Conference paper
EID:

2-s2.0-85026728065

Contributors: Van Geem, K.M.; Pappijn, C.A.R.; Van De Vijver, R.; Zador, J.
Source: Self-asserted source
Judit Zádor via Scopus - Elsevier

Theoretical kinetics of O + C<inf>2</inf>H<inf>4</inf>

Proceedings of the Combustion Institute
2017 | Journal article
EID:

2-s2.0-84979711041

Contributors: Li, X.; Jasper, A.W.; Zádor, J.; Miller, J.A.; Klippenstein, S.J.
Source: Self-asserted source
Judit Zádor via Scopus - Elsevier
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Items per page:
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Peer review (222 reviews for 30 publications/grants)

Review activity for ACS earth and space chemistry. (1)
Review activity for Angewandte Chemie. (1)
Review activity for Atmospheric environment. (1)
Review activity for Chemical physics. (3)
Review activity for ChemSystemsChem. (2)
Review activity for Combustion and flame. (6)
Review activity for Combustion and flame. (51)
Review activity for Computational and theoretical chemistry. (2)
Review activity for Digital discovery. (5)
Review activity for Environmental science. (1)
Review activity for Faraday discussions. (3)
Review activity for Fuel. (2)
Review activity for International journal of chemical kinetics. (16)
Review activity for Journal of chemical physics. (8)
Review activity for Journal of chemical theory and computation : (1)
Review activity for Journal of fluorine chemistry. (1)
Review activity for Journal of mathematical chemistry. (1)
Review activity for Journal of the American Chemical Society. (3)
Review activity for Molecular physics. (4)
Review activity for Nature communications (1)
Review activity for Nature computational science. (1)
Review activity for Physical chemistry chemical physics. (29)
Review activity for Proceedings of the Combustion Institute. (5)
Review activity for Proceedings of the Combustion Institute. (26)
Review activity for Reaction kinetics, mechanisms and catalysis. (1)
Review activity for Scientific reports. (3)
Review activity for The Astrophysical journal. (2)
Review activity for The journal of physical chemistry letters. (3)
Review activity for The journal of physical chemistry. (30)
Review activity for The journal of physical chemistry. (9)