Technical Staff Professional- Computational Chemistry Scientist

Oak Ridge National Laboratory•Oak Ridge, TN

9d•Onsite

About The Position

We are seeking a technical staff professional who will focus on code portability and software development that combines domain knowledge in chemistry, electronic structure, atomistic simulations and data science approaches. This position resides in the Chemical Transformations Section, Chemical Sciences Division, Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL).

Requirements

A bachelor’s degree in chemistry, physics, chemical engineering or a related discipline
A minimum of 5 years of experience in professional research environment.
Demonstrated ability to develop scientific workflows for chemistry.

Nice To Haves

A PhD degree in Chemistry, Physic, Chemical Engineering or a related discipline
Practical background and experience in chemistry-informed AI approaches; demonstrated experience in electronic structure and molecular simulation.
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.

Responsibilities

Conduct atomistic simulations to contribute to multi-disciplinary projects relevant to catalysis, critical materials or separations.
Develop computational workflows that span different methods/software and have experience in agentic AI flows.
Contribute to methods development and integrate data science to accelerate simulations, analyze large datasets, and extract correlations.
Work in multi-disciplinary teams, deliver manuscript first-drafts, mentor visiting students as opportunity arises.
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.