Postdoctoral Appointee - Computational Research in Selective Interface Reactions

The Chemical Sciences and Engineering Division is seeking applicants for a postdoctoral appointee who will conduct computational research in Selective Interface Reactions (e.g., atomic layer deposition (ALD).

The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms of molecular reactions occurring at the surface of various materials.

In addition, computational fluid dynamics (CFD) simulations combined with microkinetic modeling will be carried out to study the heat transfer of the reaction process. This research is closely aligned with the corresponding experimental studies.

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, or chemical engineering or a closely related field, with demonstrated experience in the scientific application of this knowledge and in computational research

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

• Experience with CFD (e.g., the use of OpenFoam or ALDFoam) and microkinetic modeling is critical

• Considerable computational expertise in using quantum mechanical methods to calculate reaction mechanisms and kinetics in heterogeneous systems is essential

• Ability to program in C++ and Python languages would be an asset

• Considerable skill in written and oral communication is a requirement

• 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 $70,758.00-$117,925.00.

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.

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