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Postdoctoral Appointee - Computational Chemistry

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Postdoctoral Appointee - Computational Chemistry

Argonne National Laboratory logoArgonne National Laboratory
Lemont, USA
Posted: Oct 5, 2026

NL Highlights

Conduct computational research on transition metal clusters for photocatalytic CO2 conversion using quantum mechanical calculations.
Determine cluster structures and investigate photochemical and photocatalytic properties in collaboration with experimental efforts.
Apply expertise in quantum mechanics and electronic structure theory to study catalytic systems.

Details

Reference

423512

Salary & Funding

$72,879.00-$121,465.00

Duration

Long-Term (Fixed Term)

Eligibility

PhD (within the last 0-5 years) in physical chemistry, inorganic chemistry, computational materials science, chemical engineering, or equivalent experience.
Strong foundation in quantum mechanics and electronic structure theory.
Demonstrated computational expertise in applying quantum mechanical methods to study electronic and photochemical properties, catalytic reaction mechanisms, and homogeneous and heterogeneous catalytic systems.
Ability to model Argonne’s core values of impact, safety, respect, integrity, and teamwork.

Next Steps

1
Submit application.
2
Disclose participation in Foreign Government Sponsored or Affiliated Activities if applicable.
3
Pass background check including criminal conviction history assessment.
4
Obtain government access authorization (may be required upon hire or in the future).

Opportunity Overview

TITLE: Postdoctoral Appointee - Computational Chemistry

The Chemical Sciences and Engineering Division invites applications for a Postdoctoral Appointee to conduct computational research focused on transition metal-containing clusters for the photocatalytic conversion of small molecules, such as CO2.

In this role, the successful candidate will perform quantum mechanical calculations to determine cluster structures and investigate their photochemical and photocatalytic properties. This work will be carried out in close collaboration with complementary experimental efforts, offering an exciting opportunity to contribute to a highly integrated research program at the interface of theory and experiment.

Position Requirements

  • Recent or soon-to-be-completed PhD (within the last 0-5 years) in field of physical chemistry, inorganic chemistry, computational materials science, chemical engineering, or equivalent experience applying these scientific principles in computational research
  • A strong foundation in quantum mechanics and electronic structure theory
  • Demonstrated computational expertise in applying quantum mechanical methods to study:
  • electronic and photochemical properties
  • catalytic reaction mechanisms
  • homogeneous and heterogeneous catalytic systems
  • Excellent written and oral communication skills
  • Experience with time-dependent density functional theory (TDDFT) and excited-state optimization, which is considered an asset
  • Ability to model Argonne s core values of impact, safety, respect, integrity, and teamwork

Job Family

Postdoctoral

Job Profile

Postdoctoral Appointee

Worker Type

Long-Term (Fixed Term)

Time Type

Full time

The expected hiring range for this position is $72,879.00-$121,465.00.

Please note that the pay range information is a general guideline only. The pay offered to a selected candidate will be determined based on factors such as, but not limited to, the scope and responsibilities of the position, the qualifications of the selected candidate, business considerations, internal equity, and external market pay for comparable jobs. Additionally, comprehensive benefits are part of the total rewards package.

Click here to view Argonne employee benefits!

As an equal employment opportunity employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a safe and welcoming workplace that fosters collaborative scientific discovery and innovation. Argonne encourages everyone to apply for employment. Argonne is committed to nondiscrimination and considers all qualified applicants for employment without regard to any 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.

All Argonne offers of employment are contingent upon a background check that includes an assessment of criminal conviction history conducted on an individualized and case-by-case basis. Please be advised that Argonne positions require upon hire (or may require in the future) for the individual be to obtain a government access authorization that involves additional background check requirements. Failure to obtain or maintain such government access authorization could result in the withdrawal of a job offer or future termination of employment.