Postdoctoral Appointee - MSD AI for Materials Chemistry

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.

Technical Expertise:

• Comprehensive understanding of applied computational materials science, including electronic structure methods and molecular dynamics.
• Experience with High-Performance Computing (HPC) systems and intelligent workflows.

3.

Programming Skills:

• Proficiency in C++/or Python programming languages is essential.

4.

Research Contributions:

• Demonstrated publications in AI for Materials Chemistry.

5.

Collaboration and Communication:

• Willingness to work on multiple projects and collaborate effectively with interdisciplinary teams.
• Strong written and oral communication skills.

6.

Core Values:

• Ability to model Argonne's core values: impact, safety, respect, integrity, and teamwork. Preferred Qualifications
• Experience in integrating AI techniques with quantum mechanical calculations.
• Familiarity with recent advancements in Foundational Models and Agentic AI.

Please upload the following as attachments to your application via

Workday:

CV/Resume Unofficial Ph.D. Transcripts If already awarded, a copy of your Ph.D. diploma. Candidates can be currently enrolled to apply, but must have proof of degree conferral by the position start date. At the point of interview, candidates will be asked to submit the name/contact of three references. Job Family Postdoctoral Job Profile Postdoctoral Appointee Worker Type Long-Term (Fixed Term) Time Type Full time The expected hiring range for this position is $72,879.00

• 121,465.

00. Please note that the pay range information is a general guideline only. The pay offered to a selected candidate will be determined based on factors such as, but not limited to, the scope and responsibilities of the position, the qualifications of the selected candidate, business considerations, internal equity, and external market pay for comparable jobs. Additionally, comprehensive benefits are part of the total rewards package. Click here to view Argonne employee benefits! As an equal employment opportunity employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a safe and welcoming workplace that fosters collaborative scientific discovery and innovation. Argonne encourages everyone to apply for employment. Argonne is committed to nondiscrimination and considers all qualified applicants for employment without regard to any 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.