Postdoctoral Appointee in Theoretical Chemical Kinetics in Livermore, CA, USA

Job Opening ID

What your job will be like
We are seeking a postdoctoral researcher (job title: Postdoctoral Appointee) to work with Dr. Judit Zádor ( in the Gas-Phase Physical Chemistry Department of the Sandia National Laboratories in Livermore, California, USA.
We are looking for a creative problem solver whose main responsibility is to develop new methods to automatically calculate reaction rate coefficients for gas-phase reactions and implement these new features into our KinBot code ( We are also interested in applying our methodology to understand fundamental questions about reactivity and its relationship to structure, including fine effects such as stereochemistry, dynamics, and multi-reference electronic structure properties.
Our typical systems of interest play role in transformations of organic molecules for energy uses and pollutant creation in the atmosphere, but our primary interest is of fundamental nature. The successful candidate will gain expertise in chemical master equation methods, Python-based workflows, high-performance computing, and potentially machine learning. The position is supported by funding from the US DOE, and includes strong collaborative aspects with experimentalists and other theorists from Sandia and beyond.

Required qualifications

  • PhD in chemistry, chemical engineering, or other relevant field within five years
  • Substantial experience with Python and HPC
  • Working experience with at least one leading quantum chemistry code
  • Scientific ability demonstrated by a strong publication record

Desired qualifications

  • Good presentation, writing, and communication skills
  • Expertise in studying atmospheric, combustion, or interstellar chemistry of molecules
  • Expertise in transition state theory, master equations, quantum chemistry, statistical mechanics, and molecular dynamics
  • Experience in machine learning

Position information
Competitive compensation of $99,000/year with benefits. This postdoctoral position is a temporary position for up to one year, which may be renewed at Sandia’s discretion up to five additional years. The PhD must have been conferred within five years prior to employment. No US citizenship is required for this position.

About our team
The Gas Phase Chemical Physics Department is part of Sandia’s Combustion Research Facility (CRF) in Livermore, California, where over 100 scientists, engineers, and technologists conduct basic and applied research to improve our nation’s capabilities in gas-phase chemical physics. Under the principal sponsorship of the Department of Energy’s Office of Basic Energy Sciences, the Gas Phase Chemical Physics Department conducts fundamental experimental, theoretical, and modeling research to develop a foundational understanding of the complex chemical reactions that occur either directly in the gas phase or influenced by it. Research areas include chemical dynamics and spectroscopy, advanced diagnostics, ultrafast physics and chemistry, chemical kinetics, multi-phase chemical physics, high-pressure combustion, and gas-surface interactions.

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