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Computational Chemistry Remote

YO AI Labs


Job Location:

New York City, NY - USA

Monthly Salary: Not provided by the employer
Posted: 18 October 2026 (7 days ago)
Application Deadline: 15 January 2027
Vacancies: 1 Vacancy

Job Summary

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.