Post Doctorate Research Associate - Computational Chemistry

Pacific Northwest National Laboratory • Richland, WA

31d

About The Position

At PNNL, our core capabilities are divided among major departments that we refer to as 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 at PNNL. But 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.

Requirements

• 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.
• Excellent verbal and written communication skills, be organized, responsive, and independent.

Nice To Haves

• 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.

Responsibilities

• Conduct research in molecular catalysis for energy applications.
• Contributing to a multidisciplinary team of computational and experimental PIs
• Learning and applying a wide range of methodologies
• Communicating findings efficiently, both during meetings/presentations and by writing manuscripts for publication.

Benefits

• Employees and their families are offered medical insurance, dental insurance, vision insurance, robust telehealth care options, several mental health benefits, free wellness coaching, health savings account, flexible spending accounts, basic life insurance, disability insurance, employee assistance program, business travel insurance, tuition assistance, relocation, backup childcare, legal benefits, supplemental parental bonding leave, surrogacy and adoption assistance, and fertility support.
• Employees are automatically enrolled in our company-funded pension plan and may enroll in our 401 (k) savings plan with company match.
• Employees may accrue up to 120 vacation hours per year and may receive ten paid holidays per year.

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Education Level: Ph.D. or professional degree