Postdoctoral Researcher

Argonne National Laboratory

Lemont, IL

Job posting number: #7069616 (Ref:408791)

Posted: September 9, 2020

Application Deadline: Open Until Filled

Job Description

We invite you to apply for a Postdoctoral Researcher position within our Materials Science Division (MSD). 

Basic Purpose: Computational Catalysis Postdoctoral position 

The research project aims at understanding catalysis at fundamental level to enable the discovery catalysts for biomass conversion processes. Computational work involving Atomistic Modeling (Gaussian, VASP), Molecular Dynamics and Data Analysis.

Required Knowledge, Skills, and Experience:

  • Primary major in Computational Catalysis, in particular heterogeneous catalysis.
  • A recent (within past three years) PhD in Chemistry or Chemical Engineering/Materials Science is preferred.
  • A strong knowledge in simulating reaction mechanisms (using VASP/CP2K) and microkinetic modeling of biomass related molecules are desired.
  • Demonstrated computational chemistry theoretical knowledge via lead publications is required.
  • Knowledge of Machine Learning and Data Science techniques, programming (python), and scripting is important.

This position will involve a considerable amount of computational simulations work with atomistic modeling of heterogeneous catalysts. Theoretical work is closely collaborated with NREL, ORNL, and PNNL via Bio energy Technology Office Funding . The candidate is expected to think and perform simulations independently and conduct research in a highly interdisciplinary environment of chemist, physicist and materials scientists. The candidate is expected to publish and present, project reports, and peer reviewed papers and proceedings.

As an equal employment opportunity and affirmative action employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne encourages minorities, women, veterans and individuals with disabilities to apply for employment. Argonne considers all qualified applicants for employment without regard to age, ancestry, citizenship status, color, disability, gender, gender identity, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.

Argonne employees, and certain guest researchers and contractors, are subject to particular restrictions related to participation in Foreign Government Talent Recruitment Programs, as defined and detailed in United States Department of Energy Order 486.1. You will be asked to disclose any such participation in the application phase for review by Argonne’s Legal Department.



Argonne is an equal opportunity employer, and we value diversity in our workforce. As an equal employment opportunity and affirmative action employer, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne prohibits discrimination or harassment based on an individual's age, ancestry, citizenship status, color, disability, gender, gender identity, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.


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