Ames National Laboratory Scientist I

Iowa State University; United States; On-site; USD 90,000 - 130,000; Full time

Benefits offered by this job

Medical and dental benefits

Retirement benefits (defined benefit/0

Generous vacation and leave

Onsite childcare

Life insurance

Flexible Spending Accounts

Employee Assistance Program

Wellbeing program

WorkFlex options

Job summary

Ames National Laboratory in Ames, Iowa seeks a Scientist I to lead computational efforts within an integrated discovery platform. You will design digital frameworks for graph neural networks, molecular representations, and thermodynamic models, enabling AI-guided experiments with autonomous robotic labs.

The role demands strong Python and RDKit expertise, experience with PyTorch Geometric and LLM-based workflows, and collaboration across institutions.

Qualifications

• PhD or equivalent combination of education and experience.
• Strong programming in Python and cheminformatics libraries (RDKit).
• Experience with machine learning frameworks (PyTorch Geometric).
• Experience with LLM-based agentic workflows.
• Hands-on experience in Linux-based HPC environments.
• Experience interfacing with autonomous robotic labs for open-loop and closed-loop studies.

Responsibilities

• Serve as the computational lead within an integrated discovery platform.
• Architect digital frameworks spanning GNNs, molecular representations, thermodynamic modeling, and multi-agent LLM systems.
• Interpret complex analytical data and predict extractant-metal selectivity.
• Drive AI-guided open-loop and closed-loop experiments through interaction with autonomous robotic laboratories.
• Collaborate in multi-institutional teams to translate physical sciences into computational workflows.

Skills

Python

RDKit

PyTorch Geometric

Graph neural networks

HPC environments

LLM workflows

Education

PhD or equivalent

Tools

RDKit

OpenCV

YOLOv8

PHREEQC

HPC clusters

Job description

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.

Why Choose Iowa State University?

• 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
• WorkFlex options for some positions. WorkFlex offers flexibility on when, where, and how you do your work.

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

R20179

Equal Employment Opportunity Statement

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. [phone], email [e-mail].

Federal Participation Disclosure

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.

Background and Compliance

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.

Compensation and Benefits Summary

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.

Additional Information

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. 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 [e-mail]. If you have questions about the application process please email [e-mail] 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 [e-mail] 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. General ISU compensation information can be found on the University Human Resources website.

Campus and Community

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. 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. 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. 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 [e-mail]. If you have questions regarding the application process please email [e-mail] 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 [e-mail] 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. 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.