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**

Comprehensive understanding of quantum mechanics and electronic structure theory is critical

Experience with CFD 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

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 zero to three years of experience or equivalent in the scientific application of this knowledge and computational research experience

**Job Family**

Postdoctoral Family

**Job Profile**

Postdoctoral Appointee

**Worker Type**

Long-Term (Fixed Term)

**Time Type**

Full time

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