Postdoctoral Appointee - Chemical Separations using Computational Methods

The Heavy Element and Separation Science group in the Chemical Science and Engineering Division of Argonne National Laboratory is seeking applications for a postdoctoral research associate to conduct fundamental research in chemical separations using computational methods, including free energy methods with molecular dynamics simulations. The position will focus on solution phase separations methods applied to metal ions, including critical materials such as rare earths and lithium.

The successful candidate will join a diverse team of experts to address challenging, fundamental questions in chemical separations, the answers to which will inform a more energy efficient and environmentally aware nation. The team includes staff and postdoctoral fellows with diverse backgrounds in inorganic, analytical and physical chemistry, as well as condensed matter physics. They will have the opportunity to work with the computational facilities and advanced instrumentation available at Argonne National Laboratory, including the Advanced Photon Source.

The candidate will be expected to contribute computational and theoretical insights to the group's efforts to understand the physical and chemical factors enabling low-energy separations, focusing on liquid-liquid extraction using green solvents, including room temperate ionic liquids and deep eutectic solvents. As a contributor to a group effort, the candidate will have the opportunity to lead studies, including the preparation of manuscripts and the presentation of their research in a national forum.

Position Requirements

• A Ph.D. in chemistry, chemical engineering, physics or a related field with 0 to 3 years of experience or equivalent

• The ability to design and conduct research addressing fundamental scientific questions

• Excellent oral and written communication skills

• Significant research experience with molecular dynamics simulations

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

Preferred Qualifications Include

• Knowledge of solution thermodynamics and liquid-liquid phase equilibria

• Experience using advanced sampling techniques, including meta dynamics

• Experience using free energy estimation methods, including alchemical free energy calculations

• A basic understanding of chemical separations of metal ions

Job Family

Postdoctoral Family

Job Profile

Postdoctoral Appointee

Worker Type

Long-Term (Fixed Term)

Time Type

Full time

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