NIST PREP Research Scientist in Quantum Scattering Calculations of Rates and Ion-Molecule Cross Sections of PFAS Compounds
SURA is a nonprofit consortium of 57 member universities that advances collaborative scientific research and education, operates research programs and staffing initiatives, and participates in operating Jefferson Lab through the SURATech joint venture.
About Southeastern Universities Research Association
Established in 1980 to pursue construction and operation of the Continuous Electron Beam Accelerator Facility, SURA now supports large-scale scientific collaboration, talent development, space-science programs, NIST research opportunities, and the operation of Jefferson Lab through SURATech with Virginia Tech.
Skills
Candidate Availability
Required and preferred rules are kept separate and reflect the wording in the original posting.
About the Role
You will perform quantum scattering calculations for PFAS and replacement compounds, extend scattering-code capabilities, and use machine learning to predict ion-molecule cross sections and reaction rates. You will develop software, analyze data, publish findings, present results, and archive research outputs.
Requirements
- PhD in Chemistry, Physics, Mathematics, Computer Science, Data Science, or a related field
- At least 4 years of relevant experience
- Experience in quantum scattering calculations
- Coursework in chemistry, physics, mathematics, statistics, or computer science
- Ability to program in Fortran, C, C++, or Python
- Oral and written communication skills
Responsibilities
- Perform quantum scattering calculations for PFAS and replacement compounds
- Extend scattering-code capabilities
- Collaborate to predict ion-molecule cross sections and reaction rates using machine learning
- Compare calculated results with calculations and experiments
- Develop a knowledge base of PFAS properties for semiconductor etching
- Develop scientific software using computational programming languages
- Present and publish results
- Archive research results, data, software, protocols, and documentation