Postdoctoral Appointee – Computational Modeling of Materials

Argonne National Laboratory

Lemont, IL

Job posting number: #7113626 (Ref:414277)

Posted: October 18, 2022

Application Deadline: Open Until Filled

Job Description

The Materials Science Division (MSD) of Argonne National Laboratory is seeking applicants for a postdoctoral appointee in the area of computational modeling of materials for carbon dioxide conversion and storage. The research project aims at understanding of interface phenomena at solid-solid and solid-liquid interfaces and design and discovery of new materials. Computational work involves first-principles methods, multiscale approaches and kinetic modeling in close collaboration with experimental studies. Compare the results to experimental measurements of structural and kinetic properties of these systems.

Position Requirements

  • Applicants must have a recent PhD in physics/materials science/chemistry/chemical engineering or related field with 0-3 years of experience

  • Knowledge of quantum mechanical methods for calculations of interface properties in complex materials and approaches to evaluate chemical kinetics are required

  • Experience in computational studies of electrochemical properties is desirable. Knowledge of molecular dynamics and Monte Carlo methods, as well as geochemical modeling is desirable

  • Experience in multiphysics simulations is a plus. Programming skills, expertise in workflows, numerical methods and data analysis are a plus. Good writing skills are required

  • The candidate is expected to think and work independently and conduct research in a highly interdisciplinary environment of chemist, physicist and materials scientists

Job Family

Postdoctoral Family

Job Profile

Postdoctoral Appointee

Worker Type

Long-Term (Fixed Term)

Time Type

Full time

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Argonne is an equal opportunity employer, and we value diversity in our workforce. As an equal employment opportunity and affirmative action employer, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne prohibits discrimination or harassment based on an individual's age, ancestry, citizenship status, color, disability, gender, gender identity, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.


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