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Job Details

Argonne National Laboratory

Postdoctoral Appointee - Computational Research (Term)



Full Time

On Site


Lemont, Illinois, United States

The Chemical Sciences and Engineering Division is seeking applicants for a postdoctoral appointee who will conduct computational research in supported transition metal containing clusters for the photocatalytic conversion of small molecules (e.g., CO2). The project involves performing quantum mechanical calculations to identify the structures and to study the photochemical and photocatalytic properties of supported clusters. This research is closely aligned with the corresponding experimental studies.

Position Requirements

  • Comprehensive understanding of quantum mechanics and electronic structure theory is critical.

  • Considerable computational expertise in using quantum mechanical methods to calculate electronic and photochemical properties and catalytic reaction mechanisms on supported catalysts is essential

  • Considerable skill in written and oral communication is a requirement

  • Experience in global optimization methods, reduced density matrix (RDM) methods, and time-dependent density functional theory (TDDFT) methods would be an asset

  • This level of knowledge is typically achieved through a formal education in physical chemistry, inorganic chemistry, computational materials science, or chemical engineering at the Ph.D. degree level with zero to three years of experience or equivalent in the scientific application of this knowledge and computational research experience.

Job Family

Postdoctoral Family

Job Profile

Postdoctoral Appointee

Worker Type

Long-Term (Fixed Term)

Time Type

Full time

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, gender expression, 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 Sponsored or Affiliated Activities, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation in the application phase for review by Argonne's Legal Department.

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Please note that all Argonne employees are required to be vaccinated against COVID-19. All successful applicants will be required to provide their COVID-19 vaccination verification as a condition of employment, subject to limited legally recognized exemptions to COVID-19 vaccination.