Postdoctoral Research Associate - AI-Driven Autonomous Spectroscopy

UT-Battelle; Oak Ridge (TN); On-site; USD 70,000 - 90,000; Full time

Benefits offered by this job

Competitive pay

Medical and retirement plans

Flexible work hours

Job summary

UT-Battelle's Oak Ridge National Laboratory seeks a Postdoctoral Research Associate to lead AI-guided, autonomous spectroscopy experiments probing short-lived chemical events in solution. The role sits in the Chemical Dynamics Group of the Chemical Sciences Division, collaborating with data scientists and theorists.

The position requires a PhD in a related field within the last five years, and emphasizes automation, ML, and strong communication skills.

Qualifications

• Experience with vibrational (IR, Raman) and/or NMR spectroscopy, ideally applied to reaction kinetics or solvation in solution.
• Experience with laboratory automation, instrument control, or autonomous experimentation using Python.
• Experience applying machine learning to experimental data.
• Excellent written and oral communication skills.
• Motivated self-starter with the ability to work independently and to participate creatively in collaborative teams.

Responsibilities

• Develop and operate automated spectroscopy platforms (IR, Raman, NMR) for measurements of solution-phase reactions.
• Implement AI/ML-guided, closed-loop experiments that adaptively select conditions to detect weak signals.
• Build data acquisition and analysis workflows for multimodal spectroscopic data and integrate with simulations.
• Participate in project planning and execution.
• Represent and report findings at meetings and publish in peer-reviewed journals.

Skills

Python

Automation

ML experience

Communication skills

Education

PhD in chemistry/physics/chemical engineering

Tools

Infrared spectroscopy (IR)

Raman spectroscopy

NMR spectroscopy

Python for automation

Job description

Overview

We are seeking a Postdoctoral Research Associate to lead experimental efforts that use AI-guided, autonomous spectroscopy to probe short-lived chemical events in solution. This Laboratory Directed Research and Development (LDRD) project combines automated infrared, Raman, and NMR measurements across a broad range of solvent environments and reaction conditions with machine learning and molecular simulation to reveal how solvent environments steer chemical reactivity. The position resides in the Chemical Dynamics Group in the Chemical Transformation Section, Chemical Sciences Division (CSD), Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL). The postdoc will work within a multidisciplinary team of experts in spectroscopy, chemistry, data science, and theory.

Requisition Id 17429

Major Duties/Responsibilities

• Develop and operate automated spectroscopy platforms (IR, Raman, NMR) for measurements of solution-phase reactions across varied solvent environments and reaction conditions.
• Implement AI/ML-guided, closed-loop experiments that adaptively select conditions to detect weak, transient spectroscopic signals.
• Build data acquisition and analysis workflows for multimodal spectroscopic data and work with computational collaborators to integrate measurements with simulations.
• Participate in project planning and execution.
• Work with ORNL staff and other postdoctoral research associates and students to accomplish the research goals.
• Present and report research results at meetings and conferences and publish scientific results in peer-reviewed journals in a timely manner.
• Ensure compliance with environment, safety, health, and quality program requirements.
• Deliver ORNL’s mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service. Promote equal opportunity by fostering a respectful workplace – in how we treat one another, work together, and measure success.

Basic Qualifications

• A PhD in chemistry, physics, chemical engineering or a related field completed within the last 5 years.

Preferred Qualifications

• Experience with vibrational (IR, Raman) and/or NMR spectroscopy, ideally applied to reaction kinetics or solvation in solution.
• Experience with laboratory automation, instrument control, or autonomous experimentation using Python.
• Experience applying machine learning to experimental data.
• Excellent written and oral communication skills.
• Motivated self-starter with the ability to work independently and to participate creatively in collaborative teams across the laboratory.
• Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs.

Special Requirements

Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment. The appointment length will be up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and availability of funding.

For Foreign National Candidates

If you have not resided in the U.S. for three consecutive years, you are not eligible for the PIV credential and instead will need to obtain a favorable Local Site Specific Only (LSSO) risk determination to maintain employment. Once you meet the three-year residency requirement, you will be required to obtain a PIV credential to maintain employment.

About ORNL

As a U.S. Department of Energy (DOE) Office of Science national laboratory, ORNL has an impressive 80-year legacy of addressing the nation’s most pressing challenges. Our team is made up of over 7,000 dedicated and innovative individuals! Our goal is to create an environment where a variety of perspectives and backgrounds are valued, ensuring ORNL is known as a top choice for employment. These principles are essential for supporting our broader mission to drive scientific breakthroughs and translate them into solutions for energy, environmental, and security challenges facing the nation.

ORNL offers competitive pay and benefits programs to attract and retain individuals who demonstrate exceptional work behaviors. The laboratory provides a range of employee benefits, including medical and retirement plans and flexible work hours, to support the well-being of you and your family. Employee amenities such as on-site fitness, banking, and cafeteria facilities are also available for added convenience.

Other benefits include the following: Prescription Drug Plan, Dental Plan, Vision Plan, 401(k) Retirement Plan, Contributory Pension Plan, Life Insurance, Disability Benefits, Generous Vacation and Holidays, Parental Leave, Legal Insurance with Identity Theft Protection, Employee Assistance Plan, Flexible Spending Accounts, Health Savings Accounts, Wellness Programs, Educational Assistance, Relocation Assistance, and Employee Discounts.

ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply. UT-Battelle is an E-Verify employer.