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Ames National Laboratory is seeking an Ames National Laboratory Scientist I to act as the computational lead within an integrated discovery platform.
You will architect digital frameworks spanning graph neural networks and molecular representations, interpreting complex analytical data to predict extractant–metal selectivity and guide AI-guided experiments with autonomous robotic laboratories for critical materials separation.
PhD or equivalent combination of education and experience
Ames National Laboratory Scientist I
Professional & Scientific
PhD or equivalent combination of education and experience
Summary of Duties and Responsibilities:
The successful candidate will serve as the computational lead within an integrated discovery platform. You will architect the digital frameworks, spanning graph neural networks, molecular representations, thermodynamic equilibrium modeling, and multi-agent LLM systems, that interpret complex analytical data, predict extractant-metal selectivity, and drive AI-guided open-loop and closed-loop experimental studies through direct interaction with autonomous robotic laboratories for critical materials separation.
Skills and abilities necessary for this position include a strong fundamental grasp of coordination chemistry, solution thermodynamics, and aqueous electrolyte equilibria. The candidate must possess advanced programming proficiency in Python, cheminformatics libraries (specifically RDKit), and scientific machine learning frameworks (such as PyTorch Geometric). Furthermore, the role requires hands-on experience developing LLM-based agentic workflows, navigating Linux-based HPC cluster environments, interfacing with autonomous robotic labs for both open-loop and closed-loop studies, and working collaboratively in multi-institutional teams to translate physical sciences into computational workflows.
This position is a 1-year term appointment.
Would you like to continue your scientific career at a U.S. National Laboratory that conducts world-renowned research? Would you enjoy working on a beautiful university campus in a mid-sized city 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! Ames National 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. Employees with appointment at Ames National Laboratory are subject to particular restrictions related to participation in Foreign Government Sponsored or Affiliated Activities, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation during the recruitment phase for review by Ames National Laboratory. Employment is contingent upon satisfying applicable requirements of Ames National Laboratory’s federal sponsor, the United States Department of Energy, and ISU requirements. These may include background checks and eligibility determinations related to access of facilities, information, or projects. This position requires the incumbent to obtain and maintain government access authorization for the duration of the appointment.
www.ameslab.gov
Regular with Term Appointment (Fixed Term)
12 Month Work Period
Full time
PS810
November 2, 2026
November 15, 2026
R20179
Employees with appointment at Ames National Laboratory are subject to particular restrictions related to participation in Foreign Government Sponsored or Affiliated Activities, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation during the recruitment phase for review by Ames National Laboratory. Employment is contingent upon satisfying applicable requirements of Ames National Laboratory’s federal sponsor, the United States Department of Energy, and ISU requirements. These may include background checks and eligibility determinations related to access of facilities, information, or projects. This position requires the incumbent to obtain and maintain government access authorization for the duration of the appointment. 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 eooffice@iastate.edu. 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.