Postdoctoral Research Associate – Computational Structural Biology & Chemistry

Iowa State University • Ames, IA

6d • Onsite

About The Position

We are seeking two highly motivated Postdoctoral Research Associates in computational structural biology and computational chemistry. These positions focus on advancing molecular-level understanding of biomolecular systems through cutting-edge computational approaches. Successful candidates will conduct research in protein biophysics, biomolecular simulations, and small-molecule modeling, with an emphasis on developing and applying computational methodologies. This includes molecular dynamics simulations, enhanced sampling techniques, free-energy calculations, and quantum-mechanical approaches such as density functional theory (DFT). A key aspect of this role is contributing beyond standard software use—candidates will be expected to develop, modify, and validate computational methods, including force field parameterization and integration of quantum-derived parameters into simulation workflows. The positions involve close collaboration with interdisciplinary teams working on proteins, enzymes, ligands, metals, and biomolecular design, bridging computational and experimental research.

Requirements

• Ph.D. in Chemistry, Physics, or Chemical Engineering
• Demonstrated expertise through peer-reviewed publications in protein biophysics, biomolecular simulations, computational chemistry, or related areas.
• Legally authorized to work in the U.S. on an ongoing basis without sponsorship.

Nice To Haves

• Experience developing or modifying computational methods, including force field parameterization or algorithm development
• Experience with molecular dynamics simulations, including enhanced sampling methods, free energy calculations, or density functional theory (DFT)
• Proficiency with GPU-accelerated simulations and high-performance computing environments, including coarse-grained and all-atom modeling approaches
• Experience integrating advanced techniques such as quantum mechanical calculations, reaction coordinate analysis, or AI/ML methods into structural biology or computational chemistry workflows

Responsibilities

• Conduct research in protein biophysics, biomolecular simulations, and small-molecule modeling.
• Develop and apply computational methodologies, including molecular dynamics simulations, enhanced sampling techniques, free-energy calculations, and quantum-mechanical approaches (e.g., DFT).
• Develop, modify, and validate computational methods, including force field parameterization and integration of quantum-derived parameters into simulation workflows.
• Collaborate with interdisciplinary teams working on proteins, enzymes, ligands, metals, and biomolecular design.
• Bridge computational and experimental research.

Benefits

• Comprehensive health and work-life benefits, including medical and dental
• Retirement benefits including defined benefit and defined contribution plans
• Generous vacation, holiday, and sick time and leave plans
• Onsite childcare (Ames, Iowa)
• Life insurance and long-term disability
• Flexible Spending Accounts
• Various voluntary benefits and discounts
• Employee Assistance Program
• Wellbeing program
• WorkFlex options for some positions

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Education Level: Ph.D. or professional degree