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Job Information

Pacific Northwest National Laboratory Post Doctorate RA - Computational Catalysis and Separations Science in RICHLAND, Washington

Organization and Job ID

Job ID: 312636

Directorate: Physical & Computational Sciences

Division: Physical Sciences

Group: Basic & Applied Molecular Foundations

Job Description

Pacific Northwest National Laboratory (PNNL) is a world-class research institution powered by a highly educated, diverse workforce committed to collaboration and work–life balance. Every year, scores of dynamic, driven postdocs come to PNNL to work with renowned researchers on meaningful science, innovations and outcomes for the U.S. Department of Energy and other sponsors; here is your chance to be one of them!

Contribute to PNNL’s goals in computations and catalysis as part of the Lab’s Physical Sciences Division (PSD). As a postdoctoral researcher in the Basic and Applied Molecular Foundations (BAMF) group, you will join a talented, multi-investigator team to explore the theory and molecular simulation at complex vapor-liquid, liquid-liquid or solid-liquid interfaces. The research will be conducted with a combination of electronic structure, molecular dynamics (MD) and data science-based methods. You will be mentored by prominent researchers, including—Roger Rousseau and Vanda Glezakou—, as you develop a line of computational research. Experience in both classical and ab initio MD fields is highly desirable. The successful candidate will be required to conduct large-scale computer simulations on massively parallel high-performance computing platforms of reactivity and transport at liquid interfaces. The candidate will also interact closely with experimentalists at PNNL who will be performing concurrent measurements on these materials. The programs that the candidate will be contributing to are related to renewable energy practices, such as conversion of chemicals from biomass derived broths, CO 2 capture materials, polymer upcycling and design of novel ion separation membranes.

If you are a postdoctoral researcher ready to test your talents and training in computations and hone your skills at a national laboratory widely recognized for its work in the physical sciences, we want to connect with you. Details are below; you do not need to meet all of the preferred qualifications to be considered.

What you will do:

  • Conduct independent research and work on team assignments

  • Lead manuscript development and maintain a strong overall publication record in the peer-reviewed scientific literature

  • Interact, communicate, and problem solve with a diverse team of research staff within the BAMF group, PSD and across PNNL

  • Present research at technical conferences and project/program review meetings

  • Participate in the development of research proposals

PhD. In Chemistry, Physics or Engineering

Minimum Qualifications

Candidates must have received a PhD within the past five years (60 months) or within the next 8 months from an accredited college or university.

Preferred Qualifications

  • Strong verbal and written communications skills.

  • Experience with electronic structure and atomistic simulations codes are imperative. Candidates with good knowledge of ab initio molecular dynamics codes, classical molecular software and experience with quantum chemical software, is desirable.

  • Programming skills (Fortran, C, C++), theory development and experience with modern high-performance computation platforms are essential for a successful appointment.

  • Additional expertise in statistical analysis of data and training of neutral networks would be beneficial and desirable.

  • The successful candidate will be asked to work on chemical problems for which a background in physical chemistry can be an asset.

  • PNNL offers a culturally and technically diverse environment for collaborative research which bridged disciplines. The successful candidate should be able to work well in a diverse team setting as she/he will interact with both theory and experimental colleagues on collaborative projects in which communications skills are a plus.

Equal Employment Opportunity

Battelle Memorial Institute (BMI) at Pacific Northwest National Laboratory (PNNL) is an Affirmative Action/Equal Opportunity Employer and supports diversity in the workplace. All employment decisions are made without regard to race, color, religion, sex, national origin, age, disability, veteran status, marital or family status, sexual orientation, gender identity, or genetic information. All BMI staff must be able to demonstrate the legal right to work in the United States. BMI is an E-Verify employer. Learn more at

If you need assistance and/or a reasonable accommodation due to a disability during the application or the recruiting process, please send a request via

Please be aware that the Department of Energy (DOE) prohibits DOE employees and contractors from having any affiliation with the foreign government of a country DOE has identified as a “country of risk” without explicit approval by DOE and Battelle. If you are offered a position at PNNL and currently have any affiliation with the government of one of these countries you will be required to disclose this information and recuse yourself of that affiliation or receive approval from DOE and Battelle prior to your first day of employment.

Directorate: Physical & Computational Sci's

Job Category: Post-Graduates and Post-Docs

Group: Basic/Applied Molecular Found

Opening Date: 2021-09-01

Closing Date: 2021-09-28