Postdoctoral researcher
Project
PREP0004975
Overview
The work will entail:
- Perform quantum scattering calculations of small PFAS molecules as well as possible replacement compounds for use in plasma etching of semiconductor chips using a suitable code (e.g. UKRMol+).
- Extending the capability of a scattering code to enable project goals.
- Collaborate with other project members to predict ion-molecule cross sections and reaction rates using machine learning models.
- Compare calculated results to results from other calculations and from experiment.
- Potentially interface with CFD modelers to incorporate calculated data into their models.
- Work to develop a knowledge base of the important properties of PFAS molecules for the etch process as a means of guiding the search for replacement compounds.
- Develop software to implement the goals stated above using an appropriate computer language (e.g., Fortran, C/C++, Python).
- Disseminating results through posters/seminars at international meetings and university seminars.
- Ensuring that all results, findings, data, software, etc. are correctly archived and transmitted through appropriate channels.
Quantum Scattering Calculations of Rates and Ion-Molecule Cross Sections of PFAS Compounds (CHIPS Funded Project)
Qualifications
- A Ph.D. degree in Chemistry, Physics, Mathematics, Computer Science, Data Science, or a related field.
- 4+ years of relevant experience. Experience in quantum scattering calculations is required.
- Significant course work in one or more of chemistry, physics, mathematics, statistics and/or computer science.
- Ability to program in a modern computational language (e.g., Fortran, C/C++, Python).
- Strong oral and written communication skills.
Research Proposal
Key responsibilities will include but are not limited to:
- Algorithm development, implementation and analysis.
- Scientific and technical programming.
- Computation and analysis of data.
- Presentation of results at internal meetings, and occasional meetings with external stakeholders.
- Publication of results in appropriate journals and publication of data to a web-based database.
- Ensure that results, protocols, software, and documentation have been archived or otherwise transmitted to the larger organization.
NIST Sponsor
Thomas C. Allison
Group
Theory, Modeling, and Simulation Group
Salary / Hourly Rate {Min}
$105,000.00
Schedule of Appointment
Full time
Start Date
Sponsor email
Work Location
Onsite NIST (Gaithersburg, MD)
Salary / Hourly rate {Max}
$120,000.00
Total Hours per week
40
End Date