Argonne National Laboratory in Lemont, IL is seeking a Postdoctoral Appointee in our Material Sciences Division. This postdoctoral position is for modeling of neutral and charged polymeric materials, including their interfaces, and those arising in blends. The position will also involve modeling of liquid crystalline materials. The postdoctoral researcher will use a combination of DFT methods, classical molecular dynamics, continuum non-equilibrium methods, and artificial intelligence assisted tools to simulate the aforementioned systems. Enhanced sampling methods and collective variable discovery are critical tools for the design and analysis of interfacial materials and will play a vital role in this research. In this role, the postdoctoral fellow is expected to work with domain experts and experimental coworkers. The candidate also will be able to collaborate in scientific projects between Argonne and The University of Chicago. Position Requirements PhD in Chemistry/Chemical Engineering/Materials Science or related field. Computational materials modeling using electronic structure theory-based codes: (Gaussian, VASP, CP2K, QBox), molecular dynamics code (ASE, LAMMPS, OpenMM, Hoomd-blue), ML frameworks (JAX, PyTorch). Communications skills, programming and a reasonable publication record. Ability to model Argonne’s core values of impact, safety, respect, integrity, and teamwork. Job Family Postdoctoral Family Job Profile Postdoctoral Appointee Worker Type Long-Term (Fixed Term) 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. 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 site. To learn more about the exciting science going on at Argonne, visit our 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.