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Argonne National Laboratory Computational Scientist in Lemont, Illinois

Argonne National Laboratory has an exciting opportunity for a Computational Scientist in our Data, Science, and Learning division! This Computational Scientist is responsible for assisting in the creation, implementation and validation of machine learning methods for designing molecular materials on leadership-class computing systems. Principal effort includes the identification of appropriate AI methods in collaboration with materials science domain experts, development of required AI techniques, and integrating AI tools with workflow systems for materials design.

Position Requirements


  • Understanding of artificial intelligence and machine learning methods and their application in the physical sciences.

  • Expertise in high-performance

  • Fluency in scientific Python packages and modern machine learning frameworks.

  • Communicates and collaborates with a broad spectrum of scientists.

  • Ability to model Argonne's Core Values: Impact, Safety, Respect, Integrity, and Teamwork

RD2: Bachelor's degree + 5 years of experience, or a Master's degree + 3 years of experience, or a PhD, or equivalent


  • PhD in Computer Science, Materials Science, or Mechanical Engineering, with significant experience in application of computational techniques to problems in science.

This job description documents the general nature and level of work but is not intended to be a comprehensive list of all activities, duties and responsibilities required of job incumbent. Consequently, job incumbent may be required to perform other duties as assigned.

Job Family

Research Development (RD)

Job Profile

Computational Science 2

Worker Type


Time Type

Full time

As an equal employment opportunity and affirmative action employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne encourages minorities, women, veterans and individuals with disabilities to apply for employment. Argonne considers all qualified applicants for employment without regard to age, ancestry, citizenship status, color, disability, gender, gender identity, gender expression, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.

Argonne employees, and certain guest researchers and contractors, 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 in the application phase for review by Argonne's Legal Department.

All Argonne offers of employment are contingent upon a background check that includes an assessment of criminal conviction history conducted on an individualized and case-by-case basis. Please be advised that Argonne positions require upon hire (or may require in the future) for the individual be to obtain a government access authorization that involves additional background check requirements. Failure to obtain or maintain such government access authorization could result in the withdrawal of a job offer or future termination of employment.

Please note that all Argonne employees are required to be vaccinated against COVID-19. All successful applicants will be required to provide their COVID-19 vaccination verification as a condition of employment, subject to limited legally recognized exemptions to COVID-19 vaccination.

Interested in translating science into innovation? Build your career at Argonne.

At Argonne, we view the world from a different perspective. Our scientists and engineers conduct world-class research in clean energy, the environment, technology, national security and more. We’re finding creative ways to prepare the world for a better future.

To learn more about Argonne's benefits programs, amenities, and other employee programs, visit our main Careers (http://www.anl.gov/careers) site.

To learn more about the exciting science going on at Argonne, visit our Science and Technology (http://www.anl.gov/argonnes-science-and-technology) page.

To request a reasonable accommodation or for other application support, contact us anytime at careers@anl.gov or 630-252-2336.