Postdoctoral Appointee – AI for Materials Chemistry: Join the Materials Science Division at Argonne National Laboratory as a Postdoctoral Appointee, conducting pioneering research in AI applications for Materials Chemistry, particularly in energy storage and conversion.
Postdoctoral Appointee – AI for Materials Chemistry
Designation
Postdoctoral Appointee
Location
Lemont, IL, USA
Research Area
AI for Materials Chemistry
Eligibility/Qualification
| Qualification | Details |
|---|---|
| Educational Background | Recent or soon-to-be-completed PhD in Materials Science, Computational Materials Science, Chemical Engineering, or a closely related field. |
| Technical Expertise | Understanding of computational materials science, including electronic structure methods and molecular dynamics. |
| Programming Skills | Proficiency in C++ and/or Python programming languages. |
| Research Contributions | Demonstrated publications in AI for Materials Chemistry. |
| Collaboration and Communication | Ability to work on multiple projects within interdisciplinary teams, with strong oral and written communication skills. |
| Core Values | Commitment to Argonne’s core values: impact, safety, respect, integrity, and teamwork. |
Job Description
The postdoctoral position involves cutting-edge research utilizing advanced computational techniques and artificial intelligence to advance the field of materials chemistry. Key responsibilities include:
- Quantum Mechanical Calculations:
- Conducting first-principles and Density Functional Theory (DFT) calculations for analyzing molecules/materials and their interphases.
- Using Molecular Dynamics (MD) simulations to study chemical transformations in materials.
- Artificial Intelligence Applications:
- Implementing conventional machine learning techniques for predicting materials properties.
- Exploring Foundational Models and Agentic AI to tackle challenges related to energy storage and conversion.
How to Apply
Interested candidates should submit the following documents via Workday:
- CV/Resume
- Unofficial PhD Transcripts
- If awarded, a copy of the PhD diploma (candidates can apply while enrolled but must provide proof of degree conferral by the start date).
Candidates will be required to submit the names/contacts of three references during the interview process.
Last Date to Apply
Applications will be accepted until the position is filled.
For further details about the role and to view employee benefits, please visit Argonne National Laboratory careers page.








