Postdoctoral Fellow; PREP

Overview

PREP Research Associate — CHIPS Funded Project.

This position is part of the National Institute of Standards and Technology (NIST) Professional Research Experience Program (PREP). PREP supports collaboration between NIST staff and researchers at academic institutions on projects of mutual interest, with PREP-awarded institutions as recipients. The work involves performing technical tasks that underpin collaborative scientific research.

Research

Title:

Coupling Computation and Machine Learning to evaluate PFAS Chemicals

The work will entail: A postdoctoral level researcher experienced in applied data science will collaborate with chemists, mathematicians, and computer scientists at NIST to characterize and model properties and spectra of PFAS chemicals. Goals include improving detection of PFAS compounds, replacing PFAS in plasma etching processes, or identifying solid adsorbent additives to remove PFAS. The candidate will participate in developing AI/ML algorithms for predicting chemical properties, infrared and mass spectra, and ionization cross sections, incorporating uncertainty quantification into AI/ML models to support uncertainty quantification in AI/ML models.

The position is highly interdisciplinary, requiring regular communication among chemists, computer scientists, and mathematicians working with experimental data as well as data from chemistry/physics calculations and simulations.

Key responsibilities will include but are not limited to:

• Developing novel machine learning algorithms for the prediction of physical and chemical properties, infrared and mass spectra, and ionization cross sections using data derived from experiment and computation.
• Implementing algorithms to study the performance of AI/ML classification models.
• Assessing uncertainty in prediction and classification of experimental data as well as data sets derived from quantum chemistry and physics calculations and simulations.
• Computationally testing mathematical and machine learning models with respect to accuracy and uncertainty quantification.
• Developing software to implement the goals stated above (most likely in 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.
• Attending regular meetings to present updates on research and discuss progress with collaborators.

Qualifications

• Completed a PhD (or near completion) in data science or related field.
• Knowledge of or a desire to acquire knowledge about chemistry.
• Minimum of 1 year of experience conducting data science research.
• Significant coursework in chemistry, physics, mathematics, statistics and/or computer science.
• Familiarity with AI/ML software packages; domain-specific software familiarity is preferred but not required.
• Ability to program in a modern computational language (e.g., Python).

Application Instructions

Please upload the following with your application:

• CV/Resume
• Self portraits
• Phone number
• Home address/Country
• Citizenship status
• Languages spoken
• Sex/Gender
• Privacy Act Statement
• 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 PREP program designed to provide laboratory experience and financial assistance to undergraduates, post-bachelor's degree holders, graduate students, master's degree holders, postdocs, and faculty.
• Salary Range and Total Rewards information are provided in separate sections below.

Salary Range

The referenced salary range represents the minimum and maximum salaries for this position and is based on Johns Hopkins University's good faith belief at the time of posting. Not all candidates will be eligible for the upper end of the salary range. The actual compensation offered will depend on location, skills, experience, internal equity, market conditions, education/training, and other factors as determined by the University.

Total Rewards

Johns Hopkins offers a total rewards package to support health, life, career, and retirement. More information can be found in the benefits…