Postdoctoral Appointee, Computational Chemistry

Job overview

The Postdoctoral Appointee, Computational Chemistry role is onsite in Lemont, IL. The annual hiring range is $72,879–$121,465. The position supports Argonne National Laboratory’s Materials Science Division in research on soft materials under operating conditions. The appointee will use molecular dynamics simulations and free-energy methods to investigate chemical reactivity and degradation, connecting computational results with experimental research. The work contributes to scientific findings shared through publications, presentations, and team discussions.

What you'll do

• Design and perform nonequilibrium molecular dynamics simulations using conventional force fields and machine-learning potentials, including foundation models
• apply free-energy and enhanced-sampling methods
• collaborate with experimental researchers
• develop analysis workflows
• interpret results
• and communicate findings through publications, presentations, and team discussions.

What we're looking for

Skills & competencies

postdoctoral appointee

computational chemistry

materials science

molecular dynamics

atomistic modeling

machine learning potentials

free energy methods

high-performance computing

lemont il

argonne national laboratory

annual $72,879–$121,465

Work arrangement

• Weekend coverage required

Benefits & perks

• Comprehensive benefits are part of the total rewards package
• details are available through Argonne’s employee benefits information.

Why this role

Research opportunity combining computational materials chemistry, atomistic modeling, machine-learning potentials, and collaboration with experimental researchers.

About the employer

Argonne National Laboratory is hiring for this role. Industry: Space Research and Technology. Sector: 92.