Postdoctoral Appointee - MSD AI Materials Chemistry Job Lemont Illinois USA,Research/Development

Position: Postdoctoral Appointee - MSD AI for Materials Chemistry
Location: Lemont

Job Overview

The Materials Science Division is seeking applicants for a Postdoctoral Appointee who will conduct cutting‑edge research in AI for Materials Chemistry, focusing on energy storage and conversion.

Project Responsibilities

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.

Position Requirements

Educational Background

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.

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.

Preferred Qualifications

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

Application Documents

CV/Resume
Unofficial Ph.D. transcripts (and, if awarded, a copy of the Ph.D. diploma)
Proof of degree conferral by the position start date
Names and contacts of three references (to be provided at interview)

Compensation and Benefits

The pay range for this position is $72,879.00–$. The final offer will be based on scope, qualifications, and other factors. A comprehensive benefits package is included as part of the total rewards.

Background Check

All offers of employment are contingent upon a background check that includes an assessment of criminal conviction history and may require additional checks for government access authorization.

Equal Opportunity Statement

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.

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