Postdoctoral Appointee - Computational Chemistry

Argonne National Laboratory•Lemont, IL
•Onsite

About The Position

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.

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.
  • 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.

Nice To Haves

  • Experience with time-dependent density functional theory (TDDFT) and excited-state optimization.

Responsibilities

  • Perform quantum mechanical calculations to determine cluster structures.
  • Investigate photochemical and photocatalytic properties of transition metal-containing clusters.
  • Collaborate with experimental efforts in a highly integrated research program.

Benefits

  • Comprehensive benefits are part of the total rewards package.

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What This Job Offers

Job Type

Full-time

Career Level

Entry Level

Education Level

Ph.D. or professional degree

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