Post Doctorate Research Associate - Computational Chemistry

Overview

At PNNL, our core capabilities are divided among major directorates within the Lab, focused on a specific area of scientific research or other function, with its own leadership team and dedicated budget.

Our Science & Technology directorates include National Security, Earth and Biological Sciences, Physical and Computational Sciences, and Energy and Environment. In addition, we have an Environmental Molecular Sciences Laboratory, a Department of Energy, Office of Science user facility housed on the PNNL campus.

The Physical and Computational Sciences Directorate's (PCSD’s) strengths in experimental, computational, and theoretical chemistry and materials science, together with our advanced computing, applied mathematics and data science capabilities, are central to the discovery mission we embrace  our most important resource is our people—experts across the range of scientific disciplines who team together to take on the biggest scientific challenges of our time.

The Physical Sciences Division stewards discovery science research portfolios including catalysis, materials science, separations, analytical chemistry, geosciences, and chemical physics. Our research strives to refine our molecular-level understanding of multiphase systems and phenomena including complex interfaces. We discover and apply new knowledge to address major national priorities and needs in energy sustainability through the development of new energy storage technologies and the creation of high-value fuels and materials from abundant wastes.

The Catalysis Science group is looking for Post Doctorate RA in the area of computational chemistry. Two positions are available to conduct research in molecular catalysis for energy applications.

The ideal candidates will have interest in contributing to a multidisciplinary team of computational and experimental PIs, learning and applying a wide range of methodologies, and communicating findings efficiently, both during meetings/presentations and by writing manuscripts for publication. We are looking for candidates experienced in quantum chemistry calculations (DFT and/or post-HF methodologies) or classical or QM/MM molecular dynamics simulations. They will also have excellent verbal and written communication skills, be organized, responsive, and independent.

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:

• Ph.D. in Chemistry, Material Science, Physics, Biology, Computer Science or a related field.
• Fluency in using QM methodologies, including DFT, or classical MD simulations.
• Experience with QM codes such as ORCA, Gaussian, NWChem, QChem or similar.
• Experience with molecular dynamics simulations codes such as Gromacs, Amber, NAMD or similar.
• Experience with programing and data analysis.
• Experience working on high-performance computing platforms.

Not Applicable

This is not a Testing Designated Position (TDP).

Pacific Northwest National Laboratory (PNNL) is a world-class research institution powered by a highly educated, diverse workforce committed to the values of Integrity, Creativity, Collaboration, Impact, and Courage. Every year, scores of dynamic, driven people 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!

At PNNL, you will find an exciting research environment and excellent benefits including health insurance, and flexible work schedules. PNNL is located in eastern Washington State—the dry side of Washington known for its stellar outdoor recreation and affordable cost of living. The Lab’s campus is only a 45-minute flight (or ~3 hour drive) from Seattle or Portland, and is serviced by the convenient PSC airport, connected to 8 major hubs.

Our laboratory is committed to fostering a work environment where all individuals are treated with…