Postdoctoral Appointee - MSD AI Materials Chemistry

Postdoctoral Appointee - MSD AI for Materials Chemistry

5 days ago Be among the first 25 applicants

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.

• Quantum Mechanical Calculations
  • Perform first‑principles or Density Functional Theory (DFT) calculations for molecules, materials, and interphases.
  • Utilize Molecular Dynamics (MD) simulations to study chemical transformations in materials.
• Artificial Intelligence Applications
  • Leverage conventional machine learning techniques for materials property prediction and Bayesian approaches.
  • Explore Foundational Models and Agentic AI to address challenges in energy storage and conversion.

• Educational Background
  • A recent or soon‑to‑be‑completed Ph.D. (within the last 0‑5 years) in Materials Science, Computational Materials Science, Chemical Engineering, or a closely related field.
• 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.
• Programming Skills
  • Proficiency in C++ or Python programming languages is essential.
• Research Contributions
  • Demonstrated publications in AI for Materials Chemistry.
• Collaboration and Communication
  • Willingness to work on multiple projects and collaborate effectively with interdisciplinary teams.
  • Strong written and oral communication skills.
• Core Values
  • Ability to model Argonne’s core values: impact, safety, respect, integrity, and teamwork.

• Experience in integrating AI techniques with quantum mechanical calculations.
• Familiarity with recent advancements in Foundational Models and Agentic AI.

• CV/Resume
• Unofficial Ph.D. transcripts
• If already awarded, a copy of your Ph.D. diploma (or 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.

Postdoctoral

Postdoctoral Appointee

Long‑Term (Fixed Term)

Full time

The expected hiring range for this position is $72,879.00–$. This pay range is a general guideline only; the actual offer will be based on qualifications, role responsibilities, business considerations, and market comparisons. Comprehensive benefits are part of the total rewards package.

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