Remote Computational Chemist for AI Benchmarking

YO AI Labs; New York (NY); Remote; USD 83,000 - 165,000; Part time

Job summary

YO AI Labs seeks a STEM Expert — Chemistry & Computational Chemistry (PhD) to support AI training and model evaluation in a remote, worldwide setting. The role emphasizes scientific reasoning, chemical analysis, and expression of complex results.

The ideal candidate holds a PhD in Chemistry or a closely related field, has deep domain expertise, and is proficient in Python and key computational chemistry tools. Prior AI experience is not required but a strong communication skill set is essential.

Qualifications

• PhD in Chemistry, Computational Chemistry, Chemical Biology, Materials Science, or a related field.
• Hands-on laboratory or computational research experience.
• Deep expertise in at least one relevant chemistry domain.
• Strong Python or specialized scientific software skills.

Responsibilities

• Design and evaluate chemistry problems and workflows.
• Analyze reaction mechanisms, spectroscopy, and simulation data.
• Optimize experimental protocols and computational methods.
• Support chemistry-related AI model testing and benchmarking.
• Document scientific findings and provide expert feedback.

Skills

Organic Chemistry

Computational Chemistry

Reaction Mechanisms

Spectroscopy

Python Programming

Gaussian/ORCA/Psi4

Quantitative Analysis

Technical Documentation

Education

PhD in Chemistry

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

YO AI Labs seeks a STEM Expert — Chemistry & Computational Chemistry (PhD) to support AI training and model evaluation in a remote, worldwide setting. The role emphasizes scientific reasoning, chemical analysis, and expression of complex results.

The ideal candidate holds a PhD in Chemistry or a closely related field, has deep domain expertise, and is proficient in Python and key computational chemistry tools. Prior AI experience is not required but a strong communication skill set is essential.