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Computational Chemist for AI Training

$40 - $60 per hour

SaidGig

Apply advanced computational chemistry expertise to help train and evaluate next-generation AI systems using rigorous, real-world scientific input. Role Overview

This remote contract role focuses on improving chemistry-related AI models and tools through expert analysis, workflow design, benchmarking, validation, and clear scientific communication.

Key Responsibilities
  • Design, evaluate, and critique advanced computational chemistry workflows for AI benchmarking initiatives.
  • Provide expert guidance on molecular simulations, electronic structure methods, and cheminformatics pipelines.
  • Assess and optimize simulation parameters and scientific software configurations to support accuracy and reproducibility.
  • Analyze molecular dynamics, quantum chemistry, and drug discovery data, then provide actionable recommendations.
  • Help guide the development and validation of chemistry-focused AI models and tools.
  • Explain complex scientific concepts clearly to technical and non-technical collaborators, in writing and verbally.
  • Document findings, methodologies, and best practices to support knowledge transfer across the team.
Qualifications
  • PhD in chemistry, computational chemistry, or a closely related field, or equivalent industry or research experience.
  • Deep expertise in computational chemistry methods and simulation-intensive environments.
  • Strong scientific programming and analytical workflow experience, particularly with Python.
  • Experience with tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel is preferred.
  • Excellent quantitative analysis, analytical reasoning, and scientific problem-solving skills.
  • Strong written and verbal communication skills, including the ability to document and explain technical concepts clearly.
  • A record of rigorous problem-solving in complex chemistry domains.
Preferred Qualifications
  • Experience with AI or ML-assisted chemistry workflows or benchmarking.
  • Peer-reviewed publications, patents, or contributions to open-source scientific software.
  • Experience in drug discovery, spectroscopy analysis, reaction prediction, or retrosynthesis.
Work Terms
  • Remote contract engagement.
Compensation
  • $40 to $60 per hour.
Vacancy posted 1 day ago
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