PREP0004008 PFAS Spectra Modeling Researcher

PREP Research Associate

Opportunity No.: PREP0004008

This position is part of the National Institute of Standards and Technology (NIST) Professional Research Experience (PREP) program. NIST recognizes that its research staff may wish to collaborate with researchers at academic institutions on specific projects of mutual interest, and thus requires that such institutions must be the recipient of a PREP award. The PREP program requires staff from a wide range of backgrounds to work on scientific research in many areas. Employees in this position will perform technical work that underpins the scientific research of the collaboration.

APPLY ONLINE HERE

PFAS Spectra Modeling Researcher

Project Description:

The Materials Measurement Laboratory of the National Institute of Standards and Technology is seeking qualified persons (U.S. Citizens preferred) to apply modern methods in artificial intelligence (AI) and machine learning (ML) to the problem of predicting infrared spectra and mass spectra for PFAS compounds. The candidate should have a strong background in AI/ML with application to chemical problems, have familiarity with infrared and mass spectra, and understand the relevant chemistry of PFAS molecules. This position will involve working with a team of chemists, physicists, mathematicians, and data scientists, and machine learning experts are characterizing PFAS molecules used in the semiconductor industry with the goal of discovering new molecules for the semiconductor etching process.

Key Responsibilities: 

• Develop libraries of training data through mining of existing databases and simulation of infrared and mass spectra using quantum chemistry and related methodologies.
• Create AI/ML models for high-fidelity prediction of the infrared and mass spectra and validate their use in matching experimentally measured spectra.
• Collaborate with other computational and experimental researchers to meet project goals.
• Disseminate results through publications, talks, poster presentations, etc.

Desired Qualifications: 

• U.S. Citizen Preferred
• Ph.D. in chemistry, physics, or a closely aligned field
• Demonstrated experience in conducting quantum scattering calculations
• Strong programming skills in languages such as Python or C/C++, experience using modern software frameworks for AI/ML, and experience in data analysis
• Motivated, independent researcher with good organizational, communication, and leadership skills
• Solid track-record of scientific publication

Other Details:

• Full-time: the participant is expected to work 40 hours a week
• Location: the participant will work at the NIST Gaithersburg Campus.
• Duration: this is expected to be a one-year position. Extensions are sometimes granted depending on the availability of funds.
• For questions related to the research project or the nature of the work in this position, please contact Dr. Thomas C. Allison (thomas.allison@nist.gov). For questions related to the online application or NIST PREP more generally, please contact msu-nistprep@morgan.edu.

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Authority: 15 U.S.C. § 278g-1(e)(1) and (e)(3) and 15 U.S.C. § 272(b) and (c)

Purpose: The National Institute for Standards and Technology (NIST) hosts the Professional Research Experience Program (PREP) which is designed to provide valuable laboratory experience and financial assistance to undergraduates, post-bachelor’s degree holders, graduate students, master’s degree holders, postdocs, and faculty.

PREP is a 5-year cooperative agreement between NIST laboratories and participating PREP Universities to establish a collaborative research relationship between NIST and U.S. institutions of higher education in the following disciplines including (but may not be limited to) biochemistry, biological sciences, chemistry, computer science, engineering, electronics, materials science, mathematics, nanoscale science, neutron science, physical science, physics, and statistics. This collection of information is needed to facilitate the administrative functions of the PREP Program.

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Disclosure: Furnishing this information is voluntary. When you submit the form, you are indicating your voluntary consent for NIST to use the information you submit for the purpose stated.