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  • Ensure that results, protocols, software, and documentation have been archived or otherwise transmitted to the larger organization.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
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