[Hiring] Computational Chemistry @YO AI Labs

Role Description

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.

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.

Requirements

• 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.

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.