Postdoc Research Associate - Engineering

Postdoc Research Associate - Engineering Appointment Type: Post Doc/Trainee Job Description: Summary of Duties and Responsibilities:

The postdoctoral research associate will perform density functional theory, and atomic-scale simulations to investigate the decomposition of polymers using zeolite catalysts. The successful candidate will employ a combination of density functional theory (DFT), machine learning force fields (ML-FF), and data-driven machine learning models to investigate reaction mechanisms, catalyst activity, kinetics, and structurefunction relationships. The successful candidate will: Performing DFT simulations to study key reaction steps in polymer cracking and dehydrogenation. Developing and applying machine learning force fields for large-scale reactive simulations. Integrating ML methods to accelerate exploration of catalystpolymer interactions and optimize catalytic pathways. Collaborating with experimental and computational partners to validate predictions and refine models.

Required Minimum Qualifications:

• Ph.D. in Materials Science, Physics, Chemistry, Mechanical Engineering, or a related field
  

Preferred Qualifications:

• Demonstrated expertise in atomic-scale simulations (e.g., MD, DFT, ML-FF)
• Demonstrated proficiency in computational programming (Python, C++, or related programs)
• Demonstrated experience with writing research publications

Proposed Start Date: September 1, 2025 Proposed End Date or Length of Term: August 31, 2026 Number of Months Employed Per Year: Time Type: Full time Application Instructions:

To apply for this position, please click on Apply and complete the Employment Application. Please be prepared to enter or attach the following:

1) Resume/Curriculum Vitae
2) Letter of Application/Cover Letter

If you have questions regarding this application process, please email employment@iastate.edu or call ... or Toll Free: ....

Why Choose ISU?

Iowa State Postdocs enjoy comprehensive health and work-life benefits, including medical and dental; as well as:
Retirement benefits including defined benefit and defined contribution plans
Generous vacation, holiday, and sick time and leave plans
Onsite childcare (Ames, Iowa)
Flexible Spending Accounts
Various voluntary benefits and discounts
Employee Assistance Program
Wellbeing Program

Original Posting Date: July 31, 2025 Posting Close Date: August 7, 2025 Job Requisition Number: R17447