The Chemical Sciences and Engineering (CSE) Division is seeking applicants for a postdoctoral appointee who will conduct computational research in 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 the clusters. This research is closely aligned with the corresponding experimental studies.

Position Requirements

• 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 0 to 5 years of experience or equivalent in the scientific application of this knowledge and computational research experience

• 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 homogeneous and heterogeneous catalysts is essential

• Considerable skill in written and oral communication is a requirement

• Experience in time-dependent density functional theory (TDDFT) methods and excited states optimization would be an asset

• Ability to model Argonne’s Core Values: Impact, Safety, Respect, Integrity, and Teamwork

Job Family

Postdoctoral Family

Job Profile

Postdoctoral Appointee

Worker Type

Long-Term (Fixed Term)

Time Type

Full time

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