Computational Chemistry and Electronic Structure Expert

Job overview

The Computational Chemistry and Electronic Structure Expert role is fully remote, with the posting specifying 15–20 hours per week. Compensation is $70–$100 per hour. Mercor connects technical talent with leading AI research labs. The expert designs and refines computational chemistry problems that evaluate AI systems’ scientific reasoning and ability to execute complex workflows, collaborating with AI research teams and using Python-based validators.

What you'll do

• Design computational problems using real scientific software to evaluate AI systems
• develop multi-step workflow problems
• iteratively test and refine problem difficulty against AI models
• collaborate with AI research teams
• independently improve problem setups and solution validators using Python
• work in Linux/terminal environments with remote compute sandboxes.

What we're looking for

Skills & competencies

computational chemistry

electronic structure

quantum chemistry

ai evaluation

scientific software

python

pyscf

linux

remote

15–20 hours per week

mercor

graduate-level training

Work arrangement

• Weekend coverage required

Why this role

Remote engagement with a stated commitment of 15–20 hours per week; graduate-level training or equivalent research experience and PySCF proficiency are required.

About the employer

Mercor is hiring for this role. Industry: All Other Professional, Scientific, and Technical Services. Sector: 54.