Post Doctorate RA - Computational Catalysis and Materials
Full/Part Time: Full-Time
A position is anticipated at the level of postdoc in computational atomistic simulations applied to CO2 capture, conversion and sequestration. Candidates will conduct research in ab initio electronic structure, molecular dynamics and kinetic modeling of reactions of CO2 and oxygenated organic species with catalytic substrates. They will aid in performing large scale computations using classical and AB initio molecular dynamics methods for computing reaction free energetics and transport properties using a mixture of classical and quantum md approached. They will be required to work with and writing analysis software such, matlab or customized fortran/C codes for data analysis and manipulation. The candidate will strongly collaborate with experimentalists at PNNL who will be performing concurrent measurements on these materials.
Equal Employment Opportunity
PNNL is an Equal Opportunity/Affirmative Action Employer that is committed to hiring a diverse, talented workforce. EOE Disability/Vet/M/F/Sexual Orientation/Gender Identity. Staff at PNNL must be able to demonstrate the legal right to work in the United States.
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.
Experience conducting and analyzing the results from atomistic simulations is preferred. Experience with condensed phase density functional theory and pseudopotetnial planewave codes (CPMD, Q-espresso, CP2K etc classical molecular dynamics (GROMACCS, NAMD, LAMPS) in addition to programming skills (Python, Fortran, C, C++), and experience with modern high performance computation platforms are highly desirable. The candidate will work on applied chemical problems for which a background in physical organic and/or inorganic chemistry will be an asset. The candidate will interact with both theory and experimental colleagues on collaborative projects in computational catalysis for which communications skills are a plus. The successful candidate will be able to work well in a team setting; will exhibit a strong work ethic.
Candidates must have a PH.D. degree in either Chemistry. Physics or Engineering.
Organization and Job ID
Job ID: 306752
Directorate: Physical & Computational Sciences
Division: Physical Sciences
Group: Basic & Applied Molecular Foundations