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Argonne National Laboratory Postdoctoral Appointee - Computational Chemist/Electrochemistry in Lemont, Illinois

We are seeking a Postdoctoral Appointee to work on the modeling of electrochemical processes related to steel production 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 to accurately predict several properties of metal complexes from ores and drive the production of steel and other alloys under low temperatures using electricity and reducing the carbon fingerprint.

The Postdoc will have the rare opportunity to use and deploy state-of-the-art tools for the largest computers for scientific computing. The work is part of a larger collaboration between the Argonne National Laboratory, Oak Ridge National Laboratory, University of Illinois, among others.

Questions about the position should be directed to Alvaro Vazquez-Mayagoitia ( ). Please note that only applications through the Argonne website will be considered.

Position Requirements

Required skills and qualifications:

  • A recent Ph.D. (typically completed within the last 3 years) in physics, chemistry, materials science, or a related field is required.

  • Demonstrated expertise in the following topics: 1) Atomistic (density functional theory, ab initio or classical molecular dynamics) modeling of metal-organic complexes and clusters, under explicit and implicit solvent. 2) Scientific programming (e.g. C++, fortran, python,….). 3) Understanding of basic concepts in deep learning and PyTorch will be a plus.

  • Effective collaborative skills.

  • Ability to model Argonne’s core values of impact, safety, respect, integrity, and teamwork.

Preferred skills and qualifications:

  • Experience in modeling electrochemical processes.

  • Experience modeling ionic solutions.

  • Experience developing machine learning force fields.

  • Experience with high performance computing.

Application details:

Interested candidates should apply directly at the Argonne website with an updated CV. Please include the answers to these questions in your cover letter:

  • What materials modeling technique(s) do you have expertise in?

  • What is your experience with software development?

  • What is your experience with collaborative projects?

  • If you have experience with high performance computing, can you please explain your experience?

Job Family

Postdoctoral Family

Job Profile

Postdoctoral Appointee

Worker Type

Long-Term (Fixed Term)

Time Type

Full time

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