Visiting Student - NST - Lee, Duy - 3.19.26

Argonne National Laboratory • Lemont, IL

1d

About The Position

Electrochemical CO2 reduction (CO2RR) to multi-carbon products such as ethylene (C2H4) is a promising route for converting carbon dioxide into value-added fuels and chemicals, but achieving high selectivity remains challenging due to the complexity of C–C coupling and surface-dependent reaction pathways. This project focuses on understanding how introducing single-atom dopants into Cu surfaces can tune the binding and coupling of key intermediates (e.g., CO and C–C species) that govern C2 product formation. The student will use AI-assisted tools (OpenCode) together with machine-learning interatomic potentials (UMA, FAIRChem) to build and analyze atomic-scale models of doped catalysts and rapidly screen their properties. Through this work, the student will gain hands-on experience in AI-driven simulation workflows and develop insight into how computational approaches can accelerate catalyst design for sustainable energy applications. Education and Experience Requirements Appointment Requirements The entirety of the appointment must be conducted within the United States. Applicants must be: Currently enrolled in undergraduate or graduate studies at an accredited institution. Graduated from an accredited institution within the past 3 months; or Actively enrolled in a graduate program at an accredited institution. Must be 18 years or older at the time the appointment begins. Must possess a cumulative GPA of 3.0 on a 4.0 scale.

Requirements

• The entirety of the appointment must be conducted within the United States.
• Applicants must be: Currently enrolled in undergraduate or graduate studies at an accredited institution.
• Graduated from an accredited institution within the past 3 months; or
• Actively enrolled in a graduate program at an accredited institution.
• Must be 18 years or older at the time the appointment begins.
• Must possess a cumulative GPA of 3.0 on a 4.0 scale.

What This Job Offers

• Job Type: Full-time
• Career Level: Intern
• Education Level: No Education Listed
• Number of Employees: 1,001-5,000 employees