What are the responsibilities and job description for the Postdoctoral Appointee - Computational Research in Catalysis Science position at UChicago Argonne, LLC?
The Chemical Sciences and Engineering (CSE) Division is seeking applicants for a postdoctoral appointee who will conduct computational research in Catalysis Science.
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 (heterogeneous catalysis).
Both cluster models and periodic models are used to represent the catalytic site. In addition, X-ray Spectroscopy (XAS) simulations (e.g., XANES) will be carried out to interpret experimental XAS spectra.
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 zero to five 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
Experience with both molecular codes (e.g., Gaussian, ORCA) and periodic codes (e.g., VASP) 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: Impact, Safety, Respect, Integrity, and Teamwork
Job Family
Postdoctoral FamilyJob Profile
Postdoctoral AppointeeWorker Type
Long-Term (Fixed Term)Time Type
Full timeThe 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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Salary : $70,758 - $117,925
