Structural Biology & Drug Discovery Scientist - Remote

YO AI Labs; New York (NY); Remote; USD 83,000 - 131,000; Full time

Job summary

YO AI Labs is seeking a STEM Expert in Chemistry & Computational Chemistry (PhD) to support AI training projects in chemistry reasoning, reaction modeling, and model evaluation. This is a remote contractor position open worldwide.

You will work on designing chemistry problems, analyzing mechanisms, and benchmarking computational methods with Python and leading chemistry tools. Candidates should have a PhD in Chemistry or related field, hands-on lab or computational experience, and strong

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.
• Excellent analytical, problem-solving, and communication 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

Inorganic Chemistry

Physical Chemistry

Analytical Chemistry

Computational Chemistry

Molecular Dynamics

Python

Scientific Programming

Spectroscopy

AI/ML workflows

Documentation

Education

PhD in Chemistry or related field

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

STEM Expert – Chemistry & Computational Chemistry (PhD)

Role Type: Contractor
Location: Remote – Worldwide

Job Summary

We are seeking chemistry experts to support an AI training project focused on scientific reasoning, chemical analysis, computational chemistry, and model evaluation. Prior AI experience is not required.

Required Skills

• Organic, Inorganic, Physical, or Analytical Chemistry
• Computational Chemistry and Molecular Dynamics
• Reaction Mechanisms and Synthesis Planning
• Spectroscopy and Electronic Structure Methods
• Python and Scientific Programming
• Gaussian, ORCA, Psi4, GROMACS, LAMMPS, or RDKit
• Quantitative Analysis and Scientific Reasoning
• Technical Documentation and Communication

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.

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.
• Excellent analytical, problem-solving, and communication skills.

Preferred Qualifications

• Postdoctoral, academic, or research scientist experience.
• Peer-reviewed publications or scientific software contributions.
• Experience with AI/ML-assisted chemistry workflows.
• Background in drug discovery, reaction prediction, or retrosynthesis.