Postdoctoral Research Associate - Ames National Laboratory

Position Title:Postdoctoral Research Associate - Ames National Laboratory

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Appointment Type:Post Doc/Trainee

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Job Description:Summary of Duties and Responsibilities:

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Would you like to work for a National Laboratory that conducts world-renowned research? Would you enjoy working on a beautiful university campus? Can you imagine yourself in a mid-sized location that regularly ranks as one of the U.S. Best Places to Live ( ? If you answered yes to any of these questions, you should consider a career with Ames National Laboratory!

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Ames Laboratory is a U.S. Department of Energy federally contracted National Laboratory located in Ames, Iowa, on the campus of Iowa State University. We are dedicated to translating foundational science through applied research to create technological innovations. We create materials, inspire minds to solve problems, and address some of the most challenging issues facing our world today. We promote and believe in a culture of civility and shared ownership in support of the Laboratory's collective success.

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The Division of Chemical & Biological Sciences is seeking a Postdoctoral Research Associate with a strong background in quantum chemistry and molecular modeling. The selected candidate will join a multidisciplinary team advancing MagSynth, a DOE-supported platform that integrates synthetic biology, AI, and quantum simulations to enable selective recovery of critical minerals such as cobalt and rare earth elements from dilute sources.

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The successful candidate will be responsible for applying advanced quantum mechanical methods to model metal–peptide binding interactions, guide the design of selective ligands, and support experimental validation efforts. Specific responsibilities include:

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  Performing conformational sampling and binding free energy estimation of peptide–metal complexes using molecular mechanics and hybrid QM/MM methods.

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  Applying density functional theory, correlated wavefunction methods (e.g., MP2, CCSD(T)), and multiconfigurational approaches (e.g., CASSCF, CASPT2) to study electronic structure and coordination chemistry.

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  Leveraging fragment-based quantum mechanical approaches and tools such as GAMESS, ORCA, Molpro, or PySCF for efficient modeling of metal coordination environments.

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  Collaborating closely with AI researchers to integrate quantum-derived features into peptide design pipelines.

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  Participating in regular group meetings, preparing technical reports and manuscripts, and presenting results at internal and external meetings.

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The research team includes experts in quantum chemistry, synthetic biology, peptide design, and automated experimentation. The successful candidate will work in close coordination with collaborators across these disciplines and will be embedded in an environment that values computational-experimental integration and high-impact research.

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The successful candidate must demonstrate strong scientific communication skills, the ability to collaborate in a diverse team environment, and a commitment to maintaining a safe and inclusive research setting.

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This is a 1-year term appointment with potential for renewal depending on performance and the availability of funding.

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Required Minimum Qualifications:

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Ph.D. in Chemistry, Chemical Physics, Biophysics, or a related field

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Preferred Qualifications:

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  Expertise in quantum chemistry of biomolecular or metal-coordination systems

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  Experience with DFT, correlated wavefunction methods (e.g., MP2, CCSD(T)), and/or multiconfigurational methods (e.g., CASSCF, CASPT2)

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  Proficiency in tools such as GAMESS, ORCA, Molpro, or PySCF

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  Experience in transition metal and lanthanide coordination chemistry

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  Experience in integrating quantum modeling with AI/machine learning frameworks is a plus

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Department Unit/Website:

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Proposed Start Date:October 1, 2025

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Proposed End Date or Length of Term:September 30, 2026

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Number of Months Employed Per Year:12 Month Work Period

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Time Type:Full time

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Application Instructions:

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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 Vitae2) Letter of Application/Cover Letter

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1. List of Professional ReferencesIf you have questions regarding this application process, please email or call 515-294-4800 or Toll Free: 1-877-477-7485.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
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Original Posting Date: August 7, 2025

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Posting Close Date:September 7, 2025

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Job Requisition Number:R17571

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By focusing on the future and providing the best student experience possible, Iowa State University ( attracts students and faculty who want to make a difference. With a comprehensive land-grant mission of education, research, extension and outreach, we produce scholars whose ideas change the world. And through Innovate at Iowa State, we provide innovative and entrepreneurial opportunities for students of all backgrounds. Located just 30 minutes north of Des Moines, the city of Ames was recently named one of the Top 10 cities in the U.S. for campus life and career opportunities.

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Iowa State University is a welcoming community of students, faculty, and staff. Campus community members have a wide range of backgrounds and experiences and are committed to engaging with each other respectfully as outlined in the university's Principles of Community ( . Iowa State recognizes that diverse intellectual and philosophical perspectives are vital to innovation, critical thinking skills, and a dynamic academic community that fosters the land-grant ideals of putting science, technology, and human creativity to work.

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All offers of employment, oral and written, are contingent upon the university’s verification of credentials and other information required by federal and state law, ISU policies/procedures, and may include the completion of a background check and/or a consumer credit check.

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Iowa State University does not discriminate on the basis of race, color, age, ethnicity, religion, national origin, pregnancy, sexual orientation, genetic information, sex, marital status, disability, or status as a U.S. Veteran. Inquiries regarding non-discrimination policies may be directed to Office of Equal Opportunity, 2680 Beardshear Hall, 515 Morrill Road, Ames, Iowa 50011, Tel. 515-294-7612, email

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If you have questions about the application process please email or call 515-294-4800 or Toll-Free at 1-877-477-7485. Iowa State University provides reasonable accommodations to applicants and employees with disabilities. Applicants with questions about access or requiring a reasonable accommodation for any part of the application or hiring process should email or call (515) 294-4800 or Toll-Free: (877) 477-7485. TTY users are welcome to use the Iowa Relay Service number by dialing 7-1-1 or (800) 735-2942.

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General ISU compensation information can be found on the University Human Resources ( website. Please note that this is only a list of ranges and individuals will be paid commensurate with qualifications.