Postdoctoral Appointee - MSD AI for Materials Chemistry
Argonne National Laboratory · Lemont, Illinois, US
The Materials Science Division is seeking applicants for a Postdoctoral Appointee who will conduct cutting-edge research in AI for Materials Chemistry, with...
Job description
The Materials Science Division is seeking applicants for a Postdoctoral Appointee who will conduct cutting-edge research in AI for Materials Chemistry, with a focus on energy storage and conversion. This position offers an exciting opportunity to contribute to fundamental and applied research in materials chemistry using advanced computational techniques and artificial intelligence. The project involves: 1. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations to study chemical transformations in materials. 2. Artificial Intelligence Applications: - Leveraging conventional machine learning techniques for materials property prediction and Bayesian approaches - Exploring Foundational Models and Agentic AI to address challenges in energy storage and conversion. Position Requirements: Candidates must meet the following qualifications: 1. Educational Background: - A recent or soon-to-be-completed PhD (within the last 0-5 years) in Materials Science, Computational Materials Science, Chemical Engineering or a closely related field. 2. Techn...