• Postdoctoral Appointee - Computational Chemistry

    Argonne National Laboratory (Lemont, IL)


    The Data Science and Learning Division (DSL) of the Computing, Environment and Life Sciences Directorate (CELS) and the Materials Science Division (MSD) of the Physical Sciences and Engineering Directorate (PSE) at Argonne National Laboratory is seeking applicants for a Postdoctoral Appointee who will conduct cutting-edge research in AI for Materials Science Discovery, with a focus on critical materials complexation and conversion, and energy storage and conversion. This position offers an exciting opportunity to contribute to fundamental and applied research in materials chemistry using AI, advanced computational techniques, and data science.

    The project involves:

    + Materials Development Platform that will enable redox molecule optimization via predictive simulations, database management, and AI/ML model development to design and discover redox-active materials with tunable properties (structure, charge state, etc.)

    + Discovery of novel materials for energy storage and conversion and their characterization with advanced computational chemistry tools, including molecular dynamics, density functional theory and Grand Canonical Monte Carlo simulations.

    Position Requirements

    + A recent or soon-to-be-completed PhD (within the last 0-5 years) in Materials Science, Computational Materials Science, Chemical Engineering or a closely related field.

    + Comprehensive understanding of applied computational materials science, including electronic structure methods molecular dynamics, and scientific machine learning.

    + Experience with High-Performance Computing (HPC) systems and intelligent workflows.

    + Demonstrated expertise combining AI and computational chemistry software in HPC platforms for materials science discovery research.

    + Effective written and oral communication skills.

    + Ability to model Argonne's core values of impact, safety, respect, integrity and teamwork.

    + Expertise using ALCF/OLCF HPC platforms will be a plus.

     

    Job Family

     

    Postdoctoral

     

    Job Profile

     

    Postdoctoral Appointee

     

    Worker Type

     

    Long-Term (Fixed Term)

     

    Time Type

     

    Full time

     

    The expected hiring range for this position is $72,879.00-$121,465.00.

     

    Please note that the pay range information is a general guideline only. The pay offered to a selected candidate will be determined based on factors such as, but not limited to, the scope and responsibilities of the position, the qualifications of the selected candidate, business considerations, internal equity, and external market pay for comparable jobs. Additionally, comprehensive benefits are part of the total rewards package.

     

    Click here (https://www.anl.gov/hr/healthcare-insurance) to view Argonne employee benefits!

     

    _As an equal employment opportunity employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a safe and welcoming workplace that fosters collaborative scientific discovery and innovation. Argonne encourages everyone to apply for employment. Argonne is committed to nondiscrimination and considers all qualified applicants for employment without regard to any 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._