Postdoctoral Position in AI for Materials Chemistry at Argonne National Laboratory Argonne National Laboratory in United States

Argonne National Laboratory's Materials Science Division is seeking a postdoctoral appointee for a project focused on the application of artificial intelligence to materials chemistry. The position is ideal for candidates with a recent PhD (0-5 years) or those nearing completion of their doctorate in Materials Science, Computational Materials Science, Chemical Engineering, or a closely related field. The successful candidate will conduct quantum mechanics or DFT calculations on molecules, materials, and interfaces, and use molecular dynamics to study chemical transformations in materials. A significant aspect of the role involves applying AI techniques—including conventional machine learning, Bayesian approaches, and foundational models/agentic AI—to predict material properties.

The postdoc will collaborate with interdisciplinary teams across multiple projects and is expected to communicate research findings through scientific publications, reports, and presentations. The position offers a competitive salary between $72,879 and $121,465 per year, commensurate with experience and profile. The start date is flexible and will be determined in agreement with the selected candidate.

This opportunity is particularly suited for those with a strong background in computational methods, quantum mechanics, and AI applications in materials science. The laboratory environment at Argonne provides access to cutting-edge research facilities and a vibrant scientific community. For application instructions, candidates are directed to the first comment of the LinkedIn post. Keywords: Materials Science, Computational Materials Science, Chemical Engineering, Quantum Mechanics, DFT, Molecular Dynamics, Artificial Intelligence, Machine Learning, Bayesian Approaches, Foundational Models, Agentic AI.