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Postdoctoral Appointee - Computational Research In Catalysis Science
Perform quantum mechanical calculations to understand molecular reactions on catalytic surfaces.
Remote
Entry Level
$70,758 - 117,925 USD / year
1 week ago
Argonne National Laboratory
Argonne is home to groundbreaking discoveries and transformative technologies across many science domains.
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✨ About The Role
- The role involves conducting computational research in Catalysis Science, focusing on quantum mechanical calculations.
- The research will include identifying structures and understanding complex mechanisms of molecular reactions at material surfaces.
- Both cluster models and periodic models will be utilized to represent catalytic sites.
- X-ray Spectroscopy (XAS) simulations will be performed to interpret experimental XAS spectra.
- The research is closely aligned with corresponding experimental studies, requiring collaboration with experimental teams.
- The position is a postdoctoral appointee role within the Chemical Sciences and Engineering Division at Argonne National Laboratory.
âš¡ Requirements
- A Ph.D. degree in physical chemistry, inorganic chemistry, computational materials science, or chemical engineering is required for this position.
- Candidates should have a comprehensive understanding of quantum mechanics and electronic structure theory.
- Experience with molecular codes such as Gaussian or ORCA, and periodic codes like VASP is critical for success in this role.
- Strong computational expertise in using quantum mechanical methods to calculate reaction mechanisms and kinetics in heterogeneous systems is essential.
- Proficiency in programming languages such as C++ and Python would be advantageous.
- Excellent written and oral communication skills are necessary to effectively convey research findings.
- A commitment to Argonne's core values of impact, safety, respect, integrity, and teamwork is expected.
Postdoctoral Appointee - Computational Research In Catalysis Science
Remote
$70,758 - 117,925 USD / year
Science
About Argonne National Laboratory
Argonne is home to groundbreaking discoveries and transformative technologies across many science domains.