Job Information
Argonne National Laboratory Postdoctoral Appointee - Computational Research in Catalysis Science in Lemont, Illinois
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 Family
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.
Click here (https://www.anl.gov/hr/healthcare-insurance) to view Argonne employee benefits!
As an equal employment opportunity and affirmative action employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne encourages minorities, women, veterans and individuals with disabilities to apply for employment. Argonne considers all qualified applicants for employment without regard to age, ancestry, citizenship status, color, disability, gender, gender identity, gender expression, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.
Argonne employees, and certain guest researchers and contractors, are subject to particular restrictions related to participation in Foreign Government Sponsored or Affiliated Activities, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation in the application phase for review by Argonne's Legal Department.
All Argonne offers of employment are contingent upon a background check that includes an assessment of criminal conviction history conducted on an individualized and case-by-case basis. Please be advised that Argonne positions require upon hire (or may require in the future) for the individual be to obtain a government access authorization that involves additional background check requirements. Failure to obtain or maintain such government access authorization could result in the withdrawal of a job offer or future termination of employment.