Postdoctoral Appointee - Computational Research in Selective Interface Reactions

Postdoctoral Appointee – Computational Research in Selective Interface Reactions

The Chemical Sciences and Engineering Division is seeking a postdoctoral appointee to conduct computational research in selective interface reactions, such as atomic layer deposition (ALD). The project involves performing quantum‑mechanical calculations (e.g., first‑principles density functional theory) to identify structures and to understand the complex mechanisms of molecular reactions occurring at the surfaces of various materials. Computational fluid dynamics (CFD) simulations, combined with microkinetic modeling, will also be carried out to study the heat transfer of the reaction process.

This research is closely aligned with corresponding experimental studies.

• Recent or soon‑to‑be completed Ph.D. (within the last 0‑5 years) in physical chemistry, inorganic chemistry, computational materials science, 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.
• Experience with CFD (e.g., OpenFOAM or ALDFoam) and microkinetic modeling.
• Considerable computational expertise in using quantum‑mechanical methods to calculate reaction mechanisms and kinetics in heterogeneous systems.
• Ability to program in C++ and Python would be an asset.
• Considerable skill in written and oral communication.
• Ability to model Argonne’s core values of impact, safety, respect, integrity, and teamwork.

Postdoctoral

Postdoctoral Appointee

Long‑Term (Fixed Term)

Full time

The expected hiring range for this position is $70,758.00 – $. Pay information is a general guideline; the offered salary will be determined based on the scope and responsibilities, qualifications, business considerations, internal equity, and external market pay for comparable positions. Comprehensive benefits are part of the total rewards package.

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