This postdoctoral position involves the modelling of molten salts and ionic liquids related to sustainable steel production studies at Argonne National Laboratory.
The focus of this position is on developing an integrated computational framework that harnesses simulations and experimental data to create models for providing rapid feedback on experiments related to determination of iron speciation in intermediate-temperature ionic liquids (including but not limited to molten inorganic halide salts) and using the insights to find optimal conditions for electrodeposition of transition metals. The successful candidate will have the opportunity to develop, use, and deploy state-of-the-art tools on the largest supercomputers used for scientific computing.
The work is part of a larger collaboration between Argonne National Laboratory, Oak Ridge National Laboratory, the University of Illinois, and other institutions.
Position Requirements
A recent Ph.D. in physics, chemistry, materials science, or a related field is required.
Ability to model Argonne’s core values of impact, safety, respect, integrity, and teamwork.
Demonstrated expertise in the following topics:
Atomistic modelling (density functional theory, ab initio or classical molecular dynamics) of metal-inorganic complexes and clusters.
Scientific programming (e.g. C++, Fortran, python,….)
An understanding of basic concepts in deep learning and PyTorch will be a plus.
Preferred skills and qualifications:
Understanding of electrochemistry.
Experience modelling ionic solutions or molten salts.
Experience developing machine learning force fields.
Experience using high-performance computing platforms.
Effective collaborative and communication skills.
Job Family
Postdoctoral FamilyJob Profile
Postdoctoral AppointeeWorker Type
Long-Term (Fixed Term)Time Type
Full timeAs 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.
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