Scientist I

Ames Lab; Ames (IA); On-site; USD 85,000 - 120,000; Full time

Job summary

Ames National Laboratory is seeking a Scientist I to lead computational efforts within an integrated discovery platform on the Ames campus. You will architect digital frameworks for graph neural networks, thermodynamic modeling, and multi-agent LLM systems to interpret data and guide experiments in collaboration with robotic labs.

The role requires expertise in coordination chemistry, solution thermodynamics, and Python-based scientific ML; familiarity with RDKit, OpenCV optional, and Linux HPC

Qualifications

• PhD or equivalent combination of education and experience.
• Strong programming in Python and ML frameworks.
• Experience with LLM-based agentic workflows and HPC environments.

Responsibilities

• Architect computational frameworks for discovery platforms.
• Interpret analytical data and predict extractant-metal selectivity.
• Collaborate with multi-institutional teams to translate science into workflows.

Skills

Python

Machine learning

LLM workflows

HPC environments

Education

PhD

Tools

RDKit

PyTorch Geometric

Job description

## Ames National Laboratory Scientist IApply: Ames, IA: Full time: Posted 7 Days Ago: R20179## Position Title:Ames National Laboratory Scientist I## Job Group:Professional & Scientific## Required Minimum Qualifications:PhD or equivalent combination of education and experience## Job Description:**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.**Preferred Qualifications:** Experience running aqueous equilibrium engines, specifically PHREEQC or phreeqpy, with familiarity in non-ideal electrolyte models (Pitzer equations, Bromley, or e-NRTL).Prior exposure to wet-chemical laboratory environments handling mineral acids, metal salt solutions, and organic solvent diluents.Experience interfacing with autonomous robotic labs or automated liquid handlers for AI-guided open-loop and closed-loop experimental studies.Familiarity with interpreting datasets from analytical instrumentation (ICP-MS, ICP-OES, UV-Vis spectrophotometry, ATR-FTIR).Basic familiarity with OpenCV, YOLOv8, or simple image-segmentation tools.Exposure to real-world hydrometallurgical feedstocks (acid rock drainage, zinc roaster residues, bauxite red mud).Experience in drafting research proposals or participating in grant writing. **Department/Program & College Description:** 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.* **Department Unit/Website (if applicable):** www.ameslab.gov **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:* Resume/Curriculum Vitae* Letter of Application/Cover Letter* List of Professional References **Why Choose Iowa State University?** Iowa State Employees 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)* Life insurance and long-term disability* Flexible Spending Accounts* Various voluntary benefits and discounts* Employee Assistance Program* Wellbeing program* Iowa State offers WorkFlex options for some positions. WorkFlex offers flexibility on when, where, and how you do your work. For more information, please speak with the Hiring Manager. If you have questions regarding this application process, please email [e-mail], or call 515-294-4800 or Toll Free: 1-877-477-7485.## Appointment Type:Regular with Term Appointment (Fixed Term)## Number of Months Employed Per Year:12 Month Work Period## Time Type:Full time## Pay Grade:PS810## Original Posting Date:November 2, 2026## Posting Close Date:November 15, 2026## Job Requisition Number:R20179Employees 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.