Remote Computational Chemistry Scientist for AI Modeling

Bazeta; United States; Remote; USD 110,000 - 179,000; Full time

Job summary

YO AI Labs seeks a STEM Expert – Chemistry & Computational Chemistry (PhD) for a remote contractor role. The candidate will contribute to AI training projects involving chemical analysis, molecular dynamics, and model evaluation.

Prior AI experience is not required, but deep chemistry expertise and Python tooling are essential. Responsibilities include designing chemistry workflows, analyzing mechanisms, and documenting findings while supporting AI model testing.

Qualifications

• PhD in Chemistry or related field with research in computational chemistry.
• Hands-on laboratory or computational research experience.
• Deep expertise in at least one chemistry domain and strong programming skills.
• Excellent analytical, problem-solving and communication abilities.

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

Inorganic Chemistry

Physical Chemistry

Analytical Chemistry

Computational Chemistry

Molecular Dynamics

Reaction Mechanisms

Synthesis Planning

Spectroscopy

Electronic Structure

Python

Scientific Programming

Technical Documentation

Communication Skills

Education

PhD in Chemistry

Computational Chemistry

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Python

Job description

YO AI Labs seeks a STEM Expert – Chemistry & Computational Chemistry (PhD) for a remote contractor role. The candidate will contribute to AI training projects involving chemical analysis, molecular dynamics, and model evaluation.

Prior AI experience is not required, but deep chemistry expertise and Python tooling are essential. Responsibilities include designing chemistry workflows, analyzing mechanisms, and documenting findings while supporting AI model testing.